CID 4299916

1-cyclohexyl-3-(4-nitrophenyl)urea

Structural Information

Molecular Formula
C13H17N3O3
SMILES
C1CCC(CC1)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C13H17N3O3/c17-13(14-10-4-2-1-3-5-10)15-11-6-8-12(9-7-11)16(18)19/h6-10H,1-5H2,(H2,14,15,17)
InChIKey
QMNOMDSHMIVKNV-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(4-nitrophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

263.12698 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 158.2
[M+Na]+ 286.11620 168.1
[M+NH4]+ 281.16080 165.6
[M+K]+ 302.09014 165.0
[M-H]- 262.11970 163.7
[M+Na-2H]- 284.10165 164.5
[M]+ 263.12643 160.7
[M]- 263.12753 160.7
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