CID 69295

1,3-di-p-tolylurea

Structural Information

Molecular Formula
C15H16N2O
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C
InChI
InChI=1S/C15H16N2O/c1-11-3-7-13(8-4-11)16-15(18)17-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H2,16,17,18)
InChIKey
HIIZOYBOCSCLPH-UHFFFAOYSA-N
Compound name
1,3-bis(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

227
Patents

240.12627 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 155.0
[M+Na]+ 263.115488 161.5
[M-H]- 239.118994 162.0
[M+NH4]+ 258.160093 172.1
[M+K]+ 279.089428 157.8
[M+H-H2O]+ 223.123530 147.3
[M+HCOO]- 285.124471 180.6
[M+CH3COO]- 299.140121 197.9
[M+Na-2H]- 261.100936 160.7
[M]+ 240.12572142 153.8
[M]- 240.12681858 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe