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]+ 358.19138 191.9
[M+Na]+ 380.17332 200.9
[M-H]- 356.17682 195.6
[M+NH4]+ 375.21792 205.0
[M+K]+ 396.14726 194.0
[M+H-H2O]+ 340.18136 182.5
[M+HCOO]- 402.18230 202.2
[M+CH3COO]- 416.19795 199.7
[M+Na-2H]- 378.15877 194.2
[M]+ 357.18355 184.9
[M]- 357.18465 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.