CID 95126

N-methyl-n,n'-diphenylurea

Structural Information

Molecular Formula
C14H14N2O
SMILES
CN(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H14N2O/c1-16(13-10-6-3-7-11-13)14(17)15-12-8-4-2-5-9-12/h2-11H,1H3,(H,15,17)
InChIKey
RLGZENVXTXVWJN-UHFFFAOYSA-N
Compound name
1-methyl-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

155
Patents

226.11061 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 150.7
[M+Na]+ 249.09983 155.8
[M-H]- 225.10333 158.5
[M+NH4]+ 244.14443 168.2
[M+K]+ 265.07377 153.6
[M+H-H2O]+ 209.10787 142.5
[M+HCOO]- 271.10881 177.1
[M+CH3COO]- 285.12446 196.0
[M+Na-2H]- 247.08528 157.5
[M]+ 226.11006 149.5
[M]- 226.11116 149.5
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