CID 2874560

296246-64-5

Structural Information

Molecular Formula
C23H23N3O
SMILES
CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=CNC5=CC=CC=C54)C(=O)C1)C
InChI
InChI=1S/C23H23N3O/c1-23(2)11-19-21(20(27)12-23)22(26-18-10-6-5-9-17(18)25-19)15-13-24-16-8-4-3-7-14(15)16/h3-10,13,22,24-26H,11-12H2,1-2H3
InChIKey
LTNCYQFXOBZKNO-UHFFFAOYSA-N
Compound name
6-(1H-indol-3-yl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

357.1841 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.191376 191.9
[M+Na]+ 380.173318 200.9
[M-H]- 356.176824 195.6
[M+NH4]+ 375.217923 205.0
[M+K]+ 396.147258 194.0
[M+H-H2O]+ 340.181360 182.5
[M+HCOO]- 402.182301 202.2
[M+CH3COO]- 416.197951 199.7
[M+Na-2H]- 378.158766 194.2
[M]+ 357.18355142 184.9
[M]- 357.18464858 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.