CID 135599699

Urea, n-(2,6-dimethylphenyl)-n'-(((2-hydroxyethyl)amino)iminomethyl)-, sulfate (1:1) (salt)

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)N/C=N/NCCO
InChI
InChI=1S/C12H18N4O2/c1-9-4-3-5-10(2)11(9)16-12(18)13-8-15-14-6-7-17/h3-5,8,14,17H,6-7H2,1-2H3,(H2,13,15,16,18)
InChIKey
MVNLSRPTUAOJAQ-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[(E)-(2-hydroxyethylhydrazinylidene)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14297 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.150246 156.9
[M+Na]+ 273.132188 161.8
[M-H]- 249.135694 160.6
[M+NH4]+ 268.176793 173.1
[M+K]+ 289.106128 159.6
[M+H-H2O]+ 233.140230 149.1
[M+HCOO]- 295.141171 184.3
[M+CH3COO]- 309.156821 204.4
[M+Na-2H]- 271.117636 162.0
[M]+ 250.14242142 156.1
[M]- 250.14351858 156.1
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.