CID 135599673

Urea, 1-ethylamidino-3-(2-methoxy-6-methylphenyl)-, hydrochloride

Structural Information

Molecular Formula
C12H18N4O2
SMILES
CCN/N=C/NC(=O)NC1=C(C=CC=C1OC)C
InChI
InChI=1S/C12H18N4O2/c1-4-14-15-8-13-12(17)16-11-9(2)6-5-7-10(11)18-3/h5-8,14H,4H2,1-3H3,(H2,13,15,16,17)
InChIKey
AQVZSEDYNVOUIF-UHFFFAOYSA-N
Compound name
1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methoxy-6-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.14297 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.15025 156.9
[M+Na]+ 273.13219 162.2
[M-H]- 249.13569 161.9
[M+NH4]+ 268.17679 173.8
[M+K]+ 289.10613 160.9
[M+H-H2O]+ 233.14023 148.8
[M+HCOO]- 295.14117 185.8
[M+CH3COO]- 309.15682 206.8
[M+Na-2H]- 271.11764 162.5
[M]+ 250.14242 158.0
[M]- 250.14352 158.0
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.