CID 135599693

Urea, 1-(2-chloro-6-methylphenyl)-3-(dimethylamino)amidino-, hydrochloride

Structural Information

Molecular Formula
C11H15ClN4O
SMILES
CC1=C(C(=CC=C1)Cl)NC(=O)N/C=N/N(C)C
InChI
InChI=1S/C11H15ClN4O/c1-8-5-4-6-9(12)10(8)15-11(17)13-7-14-16(2)3/h4-7H,1-3H3,(H2,13,14,15,17)
InChIKey
JLODQFIOGIBCAQ-UHFFFAOYSA-N
Compound name
1-(2-chloro-6-methylphenyl)-3-[(E)-(dimethylhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.09344 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10072 159.2
[M+Na]+ 277.08266 166.0
[M-H]- 253.08616 165.7
[M+NH4]+ 272.12726 177.5
[M+K]+ 293.05660 163.7
[M+H-H2O]+ 237.09070 152.4
[M+HCOO]- 299.09164 184.2
[M+CH3COO]- 313.10729 208.5
[M+Na-2H]- 275.06811 163.7
[M]+ 254.09289 162.0
[M]- 254.09399 162.0
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

No patent data available for this compound.