CID 135599689

Urea, 1-ethylamidino-3-(o-tolyl)-, hydrochloride

Structural Information

Molecular Formula
C11H16N4O
SMILES
CCN/N=C/NC(=O)NC1=CC=CC=C1C
InChI
InChI=1S/C11H16N4O/c1-3-13-14-8-12-11(16)15-10-7-5-4-6-9(10)2/h4-8,13H,3H2,1-2H3,(H2,12,14,15,16)
InChIKey
ZKSFHFDUHAGNNS-UHFFFAOYSA-N
Compound name
1-[(E)-(ethylhydrazinylidene)methyl]-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.13242 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.13970 149.3
[M+Na]+ 243.12164 154.2
[M-H]- 219.12514 154.2
[M+NH4]+ 238.16624 167.2
[M+K]+ 259.09558 152.5
[M+H-H2O]+ 203.12968 141.5
[M+HCOO]- 265.13062 178.4
[M+CH3COO]- 279.14627 200.3
[M+Na-2H]- 241.10709 156.2
[M]+ 220.13187 148.3
[M]- 220.13297 148.3
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.