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]+ 221.139696 149.3
[M+Na]+ 243.121638 154.2
[M-H]- 219.125144 154.2
[M+NH4]+ 238.166243 167.2
[M+K]+ 259.095578 152.5
[M+H-H2O]+ 203.129680 141.5
[M+HCOO]- 265.130621 178.4
[M+CH3COO]- 279.146271 200.3
[M+Na-2H]- 241.107086 156.2
[M]+ 220.13187142 148.3
[M]- 220.13296858 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.