PubChemLite - Mls002701682 (C24H22N2O2)

Structural Information

Molecular Formula

SMILES

CN(C)CCCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C24H22N2O2/c1-25(2)14-7-15-26-21-17-9-4-3-8-16(17)12-13-20(21)23-22(26)18-10-5-6-11-19(18)24(27)28-23/h3-6,8-13H,7,14-15H2,1-2H3

InChIKey

RSMAEBFKDMVQPJ-UHFFFAOYSA-N

Compound name

12-[3-(dimethylamino)propyl]-3-oxa-12-azapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),2(11),5,7,9,14,16,18,20-nonaen-4-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]+	371.17540	189.8
[M+Na]+	393.15734	201.4
[M-H]-	369.16084	198.6
[M+NH4]+	388.20194	205.8
[M+K]+	409.13128	195.9
[M+H-H2O]+	353.16538	180.1
[M+HCOO]-	415.16632	211.0
[M+CH3COO]-	429.18197	201.6
[M+Na-2H]-	391.14279	196.9
[M]+	370.16757	198.4
[M]-	370.16867	198.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

371.17540

189.8

[M+Na]+

393.15734

201.4

[M-H]-

369.16084

198.6

[M+NH4]+

388.20194

205.8

[M+K]+

409.13128

195.9

[M+H-H2O]+

353.16538

180.1

[M+HCOO]-

415.16632

211.0

[M+CH3COO]-

429.18197

201.6

[M+Na-2H]-

391.14279

196.9

[M]+

370.16757

198.4

[M]-

370.16867

198.4

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

Mls002701682

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe