PubChemLite - Indolocarbazole deriv. 3l (C25H18N4O3)

Structural Information

Molecular Formula

SMILES

CN1C2=CC=CC=C2C3=C4C(=C5C6=C(C=CC(=C6)OC)N(C5=C31)CCC#N)C(=O)NC4=O

InChI

InChI=1S/C25H18N4O3/c1-28-16-7-4-3-6-14(16)18-20-21(25(31)27-24(20)30)19-15-12-13(32-2)8-9-17(15)29(11-5-10-26)23(19)22(18)28/h3-4,6-9,12H,5,11H2,1-2H3,(H,27,30,31)

InChIKey

ZVNYZPSVRMHUSE-UHFFFAOYSA-N

Compound name

3-(7-methoxy-23-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaen-3-yl)propanenitrile

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	423.14516	207.6
[M+Na]+	445.12710	224.2
[M-H]-	421.13060	211.1
[M+NH4]+	440.17170	221.8
[M+K]+	461.10104	210.7
[M+H-H2O]+	405.13514	193.7
[M+HCOO]-	467.13608	221.4
[M+CH3COO]-	481.15173	216.0
[M+Na-2H]-	443.11255	205.8
[M]+	422.13733	210.9
[M]-	422.13843	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

423.14516

207.6

[M+Na]+

445.12710

224.2

[M-H]-

421.13060

211.1

[M+NH4]+

440.17170

221.8

[M+K]+

461.10104

210.7

[M+H-H2O]+

405.13514

193.7

[M+HCOO]-

467.13608

221.4

[M+CH3COO]-

481.15173

216.0

[M+Na-2H]-

443.11255

205.8

[M]+

422.13733

210.9

[M]-

422.13843

210.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Indolocarbazole deriv. 3l

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe