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

16
Patents

246.00752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.014796 153.5
[M+Na]+ 268.996738 161.5
[M-H]- 245.000244 157.4
[M+NH4]+ 264.041343 171.3
[M+K]+ 284.970678 156.9
[M+H-H2O]+ 229.004780 148.7
[M+HCOO]- 291.005721 171.7
[M+CH3COO]- 305.021371 200.4
[M+Na-2H]- 266.982186 156.1
[M]+ 246.00697142 152.6
[M]- 246.00806858 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