CID 1245862

N,n''-(4-methyl-1,3-phenylene)bis[n'-(4-methylphenyl)urea]

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)C)NC(=O)NC3=CC=C(C=C3)C
InChI
InChI=1S/C23H24N4O2/c1-15-4-9-18(10-5-15)24-22(28)26-20-13-8-17(3)21(14-20)27-23(29)25-19-11-6-16(2)7-12-19/h4-14H,1-3H3,(H2,24,26,28)(H2,25,27,29)
InChIKey
ZPHINLJKDOIANS-UHFFFAOYSA-N
Compound name
1-[2-methyl-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

388.1899 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 195.3
[M+Na]+ 411.17912 199.4
[M-H]- 387.18262 205.0
[M+NH4]+ 406.22372 205.2
[M+K]+ 427.15306 194.7
[M+H-H2O]+ 371.18716 184.7
[M+HCOO]- 433.18810 220.6
[M+CH3COO]- 447.20375 232.0
[M+Na-2H]- 409.16457 197.7
[M]+ 388.18935 193.6
[M]- 388.19045 193.6
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