CID 3042875

1-methyl-3,5-diphenylbiuret

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CNC(=O)N(C1=CC=CC=C1)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C15H15N3O2/c1-16-14(19)18(13-10-6-3-7-11-13)15(20)17-12-8-4-2-5-9-12/h2-11H,1H3,(H,16,19)(H,17,20)
InChIKey
KOCBUXFVJOENTG-UHFFFAOYSA-N
Compound name
1-(methylcarbamoyl)-1,3-diphenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

269.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 161.6
[M+Na]+ 292.10564 165.4
[M-H]- 268.10914 169.3
[M+NH4]+ 287.15024 176.9
[M+K]+ 308.07958 163.7
[M+H-H2O]+ 252.11368 152.7
[M+HCOO]- 314.11462 188.1
[M+CH3COO]- 328.13027 205.0
[M+Na-2H]- 290.09109 167.2
[M]+ 269.11587 160.0
[M]- 269.11697 160.0
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