CID 3970440

1,2-bis(phenylureido)ethane

Structural Information

Molecular Formula
C16H18N4O2
SMILES
C1=CC=C(C=C1)NC(=O)NCCNC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H18N4O2/c21-15(19-13-7-3-1-4-8-13)17-11-12-18-16(22)20-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,17,19,21)(H2,18,20,22)
InChIKey
CDTIOGUIESQOJT-UHFFFAOYSA-N
Compound name
1-phenyl-3-[2-(phenylcarbamoylamino)ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

298.14297 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.15025 167.1
[M+Na]+ 321.13219 169.4
[M-H]- 297.13569 173.0
[M+NH4]+ 316.17679 180.2
[M+K]+ 337.10613 166.3
[M+H-H2O]+ 281.14023 157.7
[M+HCOO]- 343.14117 193.7
[M+CH3COO]- 357.15682 210.0
[M+Na-2H]- 319.11764 173.6
[M]+ 298.14242 163.9
[M]- 298.14352 163.9
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

patents stripe