CID 3540753

1-(3-chlorophenyl)-3-(3-nitrophenyl)urea

Structural Information

Molecular Formula
C13H10ClN3O3
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C13H10ClN3O3/c14-9-3-1-4-10(7-9)15-13(18)16-11-5-2-6-12(8-11)17(19)20/h1-8H,(H2,15,16,18)
InChIKey
LRPVRAVNMJEPFH-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(3-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

291.04108 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.04836 161.7
[M+Na]+ 314.03030 167.6
[M-H]- 290.03380 168.2
[M+NH4]+ 309.07490 176.1
[M+K]+ 330.00424 159.1
[M+H-H2O]+ 274.03834 159.1
[M+HCOO]- 336.03928 184.2
[M+CH3COO]- 350.05493 196.7
[M+Na-2H]- 312.01575 168.8
[M]+ 291.04053 160.9
[M]- 291.04163 160.9
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