CID 4346786

1,1'-(4-methyl-1,3-phenylene)bis(3-(4-cyanophenyl)urea)

Structural Information

Molecular Formula
C23H18N6O2
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)C#N)NC(=O)NC3=CC=C(C=C3)C#N
InChI
InChI=1S/C23H18N6O2/c1-15-2-7-20(28-22(30)26-18-8-3-16(13-24)4-9-18)12-21(15)29-23(31)27-19-10-5-17(14-25)6-11-19/h2-12H,1H3,(H2,26,28,30)(H2,27,29,31)
InChIKey
CRMXZFYBNPOIGU-UHFFFAOYSA-N
Compound name
1-(4-cyanophenyl)-3-[3-[(4-cyanophenyl)carbamoylamino]-4-methylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.1491 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.15638 221.2
[M+Na]+ 433.13832 228.6
[M+NH4]+ 428.18292 220.0
[M+K]+ 449.11226 216.8
[M-H]- 409.14182 214.4
[M+Na-2H]- 431.12377 220.4
[M]+ 410.14855 218.9
[M]- 410.14965 218.9
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.