CID 5279329

Schembl643341

Structural Information

Molecular Formula
C23H18N4O5
SMILES
COC1=C(C=CC(=C1)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C23H18N4O5/c1-32-19-13-15(11-12-18(19)27(30)31)22(28)26-21-23(29)24-17-10-6-5-9-16(17)20(25-21)14-7-3-2-4-8-14/h2-13,21H,1H3,(H,24,29)(H,26,28)
InChIKey
CATULJFLMBJAFU-UHFFFAOYSA-N
Compound name
3-methoxy-4-nitro-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

430.12772 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.13500 204.5
[M+Na]+ 453.11694 208.2
[M-H]- 429.12044 212.4
[M+NH4]+ 448.16154 209.4
[M+K]+ 469.09088 204.9
[M+H-H2O]+ 413.12498 197.5
[M+HCOO]- 475.12592 222.1
[M+CH3COO]- 489.14157 222.4
[M+Na-2H]- 451.10239 209.4
[M]+ 430.12717 199.4
[M]- 430.12827 199.4
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

patents stripe