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]+ 251.150246 156.9
[M+Na]+ 273.132188 162.2
[M-H]- 249.135694 161.9
[M+NH4]+ 268.176793 173.8
[M+K]+ 289.106128 160.9
[M+H-H2O]+ 233.140230 148.8
[M+HCOO]- 295.141171 185.8
[M+CH3COO]- 309.156821 206.8
[M+Na-2H]- 271.117636 162.5
[M]+ 250.14242142 158.0
[M]- 250.14351858 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.