CID 4154162

Schembl6441408

Structural Information

Molecular Formula
C23H24N4O3
SMILES
CC1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)OC)NC(=O)NC3=CC=C(C=C3)C
InChI
InChI=1S/C23H24N4O3/c1-15-4-8-17(9-5-15)24-22(28)26-19-12-13-21(30-3)20(14-19)27-23(29)25-18-10-6-16(2)7-11-18/h4-14H,1-3H3,(H2,24,26,28)(H2,25,27,29)
InChIKey
XOHXMTWEAQVKMZ-UHFFFAOYSA-N
Compound name
1-[2-methoxy-5-[(4-methylphenyl)carbamoylamino]phenyl]-3-(4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

404.18484 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19212 197.9
[M+Na]+ 427.17406 201.7
[M-H]- 403.17756 207.6
[M+NH4]+ 422.21866 207.0
[M+K]+ 443.14800 197.8
[M+H-H2O]+ 387.18210 187.0
[M+HCOO]- 449.18304 223.3
[M+CH3COO]- 463.19869 234.3
[M+Na-2H]- 425.15951 200.5
[M]+ 404.18429 197.5
[M]- 404.18539 197.5
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