CID 306455

1-benzyl-1-methyl-3-phenylurea

Structural Information

Molecular Formula
C15H16N2O
SMILES
CN(CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O/c1-17(12-13-8-4-2-5-9-13)15(18)16-14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,16,18)
InChIKey
ICSPQKHHLAUYRG-UHFFFAOYSA-N
Compound name
1-benzyl-1-methyl-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

12
Patents

240.12627 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.133546 155.3
[M+Na]+ 263.115488 160.0
[M-H]- 239.118994 162.9
[M+NH4]+ 258.160093 172.3
[M+K]+ 279.089428 157.6
[M+H-H2O]+ 223.123530 146.9
[M+HCOO]- 285.124471 181.3
[M+CH3COO]- 299.140121 199.0
[M+Na-2H]- 261.100936 161.6
[M]+ 240.12572142 154.5
[M]- 240.12681858 154.5
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