PubChemLite - (-)-indolactam v (C17H23N3O2)

Structural Information

Molecular Formula

SMILES

CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C2C(=CC=C3)N1C)CO

InChI

InChI=1S/C17H23N3O2/c1-10(2)16-17(22)19-12(9-21)7-11-8-18-13-5-4-6-14(15(11)13)20(16)3/h4-6,8,10,12,16,18,21H,7,9H2,1-3H3,(H,19,22)/t12-,16-/m0/s1

InChIKey

LUZOFMGZMUZSSK-LRDDRELGSA-N

Compound name

(10S,13S)-13-(hydroxymethyl)-9-methyl-10-propan-2-yl-3,9,12-triazatricyclo[6.6.1.04,15]pentadeca-1,4(15),5,7-tetraen-11-one

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]+	302.18630	203.4
[M+Na]+	324.16824	201.8
[M-H]-	300.17174	201.9
[M+NH4]+	319.21284	202.1
[M+K]+	340.14218	200.9
[M+H-H2O]+	284.17628	193.3
[M+HCOO]-	346.17722	202.6
[M+CH3COO]-	360.19287	203.0
[M+Na-2H]-	322.15369	203.5
[M]+	301.17847	202.2
[M]-	301.17957	202.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

302.18630

203.4

[M+Na]+

324.16824

201.8

[M-H]-

300.17174

201.9

[M+NH4]+

319.21284

202.1

[M+K]+

340.14218

200.9

[M+H-H2O]+

284.17628

193.3

[M+HCOO]-

346.17722

202.6

[M+CH3COO]-

360.19287

203.0

[M+Na-2H]-

322.15369

203.5

[M]+

301.17847

202.2

[M]-

301.17957

202.2

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

(-)-indolactam v

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe