CID 3068962

Brn 5183965

Structural Information

Molecular Formula
C25H23ClN4O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NNC2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C25H23ClN4O5/c1-33-19-11-15(12-20(34-2)22(19)35-3)24(31)30-29-23-25(32)27-18-10-9-16(26)13-17(18)21(28-23)14-7-5-4-6-8-14/h4-13,23,29H,1-3H3,(H,27,32)(H,30,31)
InChIKey
RDLIIDSWDKDFIZ-UHFFFAOYSA-N
Compound name
N'-(7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)-3,4,5-trimethoxybenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

494.1357 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.14298 219.2
[M+Na]+ 517.12492 226.4
[M-H]- 493.12842 227.3
[M+NH4]+ 512.16952 224.1
[M+K]+ 533.09886 227.1
[M+H-H2O]+ 477.13296 207.9
[M+HCOO]- 539.13390 232.7
[M+CH3COO]- 553.14955 241.8
[M+Na-2H]- 515.11037 220.4
[M]+ 494.13515 221.5
[M]- 494.13625 221.5
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.