CID 135599681

Urea, 1-(2,6-dimethylphenyl)-3-hydroxyamidino-, hydrochloride

Structural Information

Molecular Formula
C10H14N4O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N/C=N/NO
InChI
InChI=1S/C10H14N4O2/c1-7-4-3-5-8(2)9(7)13-10(15)11-6-12-14-16/h3-6,14,16H,1-2H3,(H2,11,12,13,15)
InChIKey
PQZMXWOQOBBXHD-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[(E)-(hydroxyhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.11168 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.11896 148.1
[M+Na]+ 245.10090 153.8
[M-H]- 221.10440 152.1
[M+NH4]+ 240.14550 165.3
[M+K]+ 261.07484 152.1
[M+H-H2O]+ 205.10894 140.6
[M+HCOO]- 267.10988 176.1
[M+CH3COO]- 281.12553 198.3
[M+Na-2H]- 243.08635 154.2
[M]+ 222.11113 146.6
[M]- 222.11223 146.6
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

No patent data available for this compound.