CID 2062647

1,2-bis(3-chlorophenylureido)ethane

Structural Information

Molecular Formula
C16H16Cl2N4O2
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)NCCNC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C16H16Cl2N4O2/c17-11-3-1-5-13(9-11)21-15(23)19-7-8-20-16(24)22-14-6-2-4-12(18)10-14/h1-6,9-10H,7-8H2,(H2,19,21,23)(H2,20,22,24)
InChIKey
OPOQCPWEBHVOBV-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[2-[(3-chlorophenyl)carbamoylamino]ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

366.06503 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.07231 183.6
[M+Na]+ 389.05425 189.1
[M-H]- 365.05775 189.4
[M+NH4]+ 384.09885 196.1
[M+K]+ 405.02819 183.0
[M+H-H2O]+ 349.06229 176.6
[M+HCOO]- 411.06323 200.7
[M+CH3COO]- 425.07888 220.1
[M+Na-2H]- 387.03970 187.0
[M]+ 366.06448 185.3
[M]- 366.06558 185.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.