CID 3056820

73840-14-9

Structural Information

Molecular Formula
C22H21N3O
SMILES
CC1=CC=C(C=C1)NC(=O)N(C2=CC=CC=C2)C(=NC3=CC=CC=C3)C
InChI
InChI=1S/C22H21N3O/c1-17-13-15-20(16-14-17)24-22(26)25(21-11-7-4-8-12-21)18(2)23-19-9-5-3-6-10-19/h3-16H,1-2H3,(H,24,26)
InChIKey
QMGJHDMBYPHROB-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1-(C-methyl-N-phenylcarbonimidoyl)-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.16846 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.17574 185.7
[M+Na]+ 366.15768 199.1
[M+NH4]+ 361.20228 193.8
[M+K]+ 382.13162 190.5
[M-H]- 342.16118 194.5
[M+Na-2H]- 364.14313 197.6
[M]+ 343.16791 190.1
[M]- 343.16901 190.1
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

No patent data available for this compound.