CID 5060494

1-phenyl-3-(2,4,5-trimethylphenyl)urea

Structural Information

Molecular Formula
C16H18N2O
SMILES
CC1=CC(=C(C=C1C)NC(=O)NC2=CC=CC=C2)C
InChI
InChI=1S/C16H18N2O/c1-11-9-13(3)15(10-12(11)2)18-16(19)17-14-7-5-4-6-8-14/h4-10H,1-3H3,(H2,17,18,19)
InChIKey
PXISJVQWDSACEW-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2,4,5-trimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

254.1419 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.14918 159.7
[M+Na]+ 277.13112 166.7
[M-H]- 253.13462 166.9
[M+NH4]+ 272.17572 176.5
[M+K]+ 293.10506 162.8
[M+H-H2O]+ 237.13916 151.9
[M+HCOO]- 299.14010 184.9
[M+CH3COO]- 313.15575 202.1
[M+Na-2H]- 275.11657 164.0
[M]+ 254.14135 159.2
[M]- 254.14245 159.2
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