CID 135411058

1-(4-methoxyphenyl)-3-(5-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl)urea

Structural Information

Molecular Formula
C18H18N4O3
SMILES
CC1=NC(C(=O)NC2=CC=CC=C12)NC(=O)NC3=CC=C(C=C3)OC
InChI
InChI=1S/C18H18N4O3/c1-11-14-5-3-4-6-15(14)21-17(23)16(19-11)22-18(24)20-12-7-9-13(25-2)10-8-12/h3-10,16H,1-2H3,(H,21,23)(H2,20,22,24)
InChIKey
ZPOUTJKMCDVHEG-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-(5-methyl-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.13788 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.14516 180.3
[M+Na]+ 361.12710 186.1
[M-H]- 337.13060 185.6
[M+NH4]+ 356.17170 190.4
[M+K]+ 377.10104 186.9
[M+H-H2O]+ 321.13514 170.8
[M+HCOO]- 383.13608 199.0
[M+CH3COO]- 397.15173 214.1
[M+Na-2H]- 359.11255 184.7
[M]+ 338.13733 176.8
[M]- 338.13843 176.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.