CID 4200708

3,3'-hexamethylenebis(1-methyl-1-phenylurea)

Structural Information

Molecular Formula
C22H30N4O2
SMILES
CN(C1=CC=CC=C1)C(=O)NCCCCCCNC(=O)N(C)C2=CC=CC=C2
InChI
InChI=1S/C22H30N4O2/c1-25(19-13-7-5-8-14-19)21(27)23-17-11-3-4-12-18-24-22(28)26(2)20-15-9-6-10-16-20/h5-10,13-16H,3-4,11-12,17-18H2,1-2H3,(H,23,27)(H,24,28)
InChIKey
WYELOUDWFNJWCV-UHFFFAOYSA-N
Compound name
1-methyl-3-[6-[[methyl(phenyl)carbamoyl]amino]hexyl]-1-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.23688 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.244156 196.9
[M+Na]+ 405.226098 196.7
[M-H]- 381.229604 204.5
[M+NH4]+ 400.270703 207.7
[M+K]+ 421.200038 195.2
[M+H-H2O]+ 365.234140 185.9
[M+HCOO]- 427.235081 222.3
[M+CH3COO]- 441.250731 234.2
[M+Na-2H]- 403.211546 198.5
[M]+ 382.23633142 198.2
[M]- 382.23742858 198.2
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.