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]+ 414.181226 201.7
[M+Na]+ 436.163168 207.7
[M-H]- 412.166674 212.6
[M+NH4]+ 431.207773 209.3
[M+K]+ 452.137108 207.5
[M+H-H2O]+ 396.171210 191.9
[M+HCOO]- 458.172151 216.8
[M+CH3COO]- 472.187801 210.1
[M+Na-2H]- 434.148616 203.8
[M]+ 413.17340142 200.2
[M]- 413.17449858 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.