CID 2062647

131568-01-9

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 184.0
[M+Na]+ 389.05425 194.9
[M+NH4]+ 384.09885 190.5
[M+K]+ 405.02819 187.4
[M-H]- 365.05775 188.8
[M+Na-2H]- 387.03970 191.2
[M]+ 366.06448 187.1
[M]- 366.06558 187.1
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.