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

14
Patents

263.12698 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.134256 156.2
[M+Na]+ 286.116198 157.8
[M-H]- 262.119704 161.6
[M+NH4]+ 281.160803 170.5
[M+K]+ 302.090138 151.5
[M+H-H2O]+ 246.124240 152.7
[M+HCOO]- 308.125181 179.1
[M+CH3COO]- 322.140831 192.9
[M+Na-2H]- 284.101646 162.0
[M]+ 263.12643142 148.4
[M]- 263.12752858 148.4
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

patents stripe