CID 11917

1,3-dimethyl-1,3-diphenylurea

Structural Information

Molecular Formula
C15H16N2O
SMILES
CN(C1=CC=CC=C1)C(=O)N(C)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey
ADCBKYIHQQCFHE-UHFFFAOYSA-N
Compound name
1,3-dimethyl-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

674
Patents

240.12627 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 155.6
[M+Na]+ 263.115488 160.4
[M-H]- 239.118994 164.7
[M+NH4]+ 258.160093 173.2
[M+K]+ 279.089428 159.4
[M+H-H2O]+ 223.123530 147.0
[M+HCOO]- 285.124471 182.1
[M+CH3COO]- 299.140121 202.4
[M+Na-2H]- 261.100936 161.1
[M]+ 240.12572142 156.0
[M]- 240.12681858 156.0
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