CID 5279373

Schembl643557

Structural Information

Molecular Formula
C23H19ClN4O3
SMILES
COC1=CC(=C(C=C1C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)Cl)N
InChI
InChI=1S/C23H19ClN4O3/c1-31-19-12-17(25)16(24)11-15(19)22(29)28-21-23(30)26-18-10-6-5-9-14(18)20(27-21)13-7-3-2-4-8-13/h2-12,21H,25H2,1H3,(H,26,30)(H,28,29)
InChIKey
LEEFTZLISAIDBX-UHFFFAOYSA-N
Compound name
4-amino-5-chloro-2-methoxy-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

25
Patents

434.11456 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12184 206.1
[M+Na]+ 457.10378 214.2
[M-H]- 433.10728 213.7
[M+NH4]+ 452.14838 213.1
[M+K]+ 473.07772 212.7
[M+H-H2O]+ 417.11182 195.6
[M+HCOO]- 479.11276 219.5
[M+CH3COO]- 493.12841 213.8
[M+Na-2H]- 455.08923 207.6
[M]+ 434.11401 204.1
[M]- 434.11511 204.1
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.