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]+ 251.15025 156.9
[M+Na]+ 273.13219 161.8
[M-H]- 249.13569 160.6
[M+NH4]+ 268.17679 173.1
[M+K]+ 289.10613 159.6
[M+H-H2O]+ 233.14023 149.1
[M+HCOO]- 295.14117 184.3
[M+CH3COO]- 309.15682 204.4
[M+Na-2H]- 271.11764 162.0
[M]+ 250.14242 156.1
[M]- 250.14352 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.