CID 5279191

Schembl644538

Structural Information

Molecular Formula
C24H22N4O3
SMILES
COC1=CC=C(C=C1)CNC(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C24H22N4O3/c1-31-18-13-11-16(12-14-18)15-25-24(30)28-22-23(29)26-20-10-6-5-9-19(20)21(27-22)17-7-3-2-4-8-17/h2-14,22H,15H2,1H3,(H,26,29)(H2,25,28,30)
InChIKey
CZGVPXBPIYFYID-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

414.1692 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17648 202.6
[M+Na]+ 437.15842 207.1
[M-H]- 413.16192 210.1
[M+NH4]+ 432.20302 209.0
[M+K]+ 453.13236 206.3
[M+H-H2O]+ 397.16646 191.6
[M+HCOO]- 459.16740 220.4
[M+CH3COO]- 473.18305 209.7
[M+Na-2H]- 435.14387 206.3
[M]+ 414.16865 198.4
[M]- 414.16975 198.4
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.