CID 3068751

83736-83-8

Structural Information

Molecular Formula
C25H23N3O3
SMILES
CN1C(CN=C(C2=CC3=C(C=C21)OCO3)C4=CC=CC=C4)CNC(=O)C5=CC=CC=C5
InChI
InChI=1S/C25H23N3O3/c1-28-19(15-27-25(29)18-10-6-3-7-11-18)14-26-24(17-8-4-2-5-9-17)20-12-22-23(13-21(20)28)31-16-30-22/h2-13,19H,14-16H2,1H3,(H,27,29)
InChIKey
VQAZWDSPOXKSGX-UHFFFAOYSA-N
Compound name
N-[(5-methyl-9-phenyl-6,7-dihydro-[1,3]dioxolo[4,5-h][1,4]benzodiazepin-6-yl)methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.17395 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18123 201.7
[M+Na]+ 436.16317 207.7
[M-H]- 412.16667 212.6
[M+NH4]+ 431.20777 209.3
[M+K]+ 452.13711 207.5
[M+H-H2O]+ 396.17121 191.9
[M+HCOO]- 458.17215 216.8
[M+CH3COO]- 472.18780 210.1
[M+Na-2H]- 434.14862 203.8
[M]+ 413.17340 200.2
[M]- 413.17450 200.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.