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]+ 344.175736 184.2
[M+Na]+ 366.157678 187.6
[M-H]- 342.161184 195.7
[M+NH4]+ 361.202283 196.8
[M+K]+ 382.131618 184.0
[M+H-H2O]+ 326.165720 173.4
[M+HCOO]- 388.166661 210.7
[M+CH3COO]- 402.182311 223.2
[M+Na-2H]- 364.143126 188.3
[M]+ 343.16791142 183.2
[M]- 343.16900858 183.2
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.