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]+ 264.13426 156.2
[M+Na]+ 286.11620 157.8
[M-H]- 262.11970 161.6
[M+NH4]+ 281.16080 170.5
[M+K]+ 302.09014 151.5
[M+H-H2O]+ 246.12424 152.7
[M+HCOO]- 308.12518 179.1
[M+CH3COO]- 322.14083 192.9
[M+Na-2H]- 284.10165 162.0
[M]+ 263.12643 148.4
[M]- 263.12753 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