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 208.2
[M+Na]+ 436.16317 220.9
[M+NH4]+ 431.20777 214.6
[M+K]+ 452.13711 215.7
[M-H]- 412.16667 216.1
[M+Na-2H]- 434.14862 213.4
[M]+ 413.17340 212.4
[M]- 413.17450 212.4
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.