CID 3043988

Urea, n-(aminoiminomethyl)-n'-(2,6-dichlorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C8H8Cl2N4O
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)N=C(N)N)Cl
InChI
InChI=1S/C8H8Cl2N4O/c9-4-2-1-3-5(10)6(4)13-8(15)14-7(11)12/h1-3H,(H5,11,12,13,14,15)
InChIKey
KBZVAHQLKHWPST-UHFFFAOYSA-N
Compound name
1-(diaminomethylidene)-3-(2,6-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

246.00752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.01480 153.5
[M+Na]+ 268.99674 161.5
[M-H]- 245.00024 157.4
[M+NH4]+ 264.04134 171.3
[M+K]+ 284.97068 156.9
[M+H-H2O]+ 229.00478 148.7
[M+HCOO]- 291.00572 171.7
[M+CH3COO]- 305.02137 200.4
[M+Na-2H]- 266.98219 156.1
[M]+ 246.00697 152.6
[M]- 246.00807 152.6
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