CID 43164799

1-(3-amino-2-methylphenyl)-3-ethylurea

Structural Information

Molecular Formula
C10H15N3O
SMILES
CCNC(=O)NC1=CC=CC(=C1C)N
InChI
InChI=1S/C10H15N3O/c1-3-12-10(14)13-9-6-4-5-8(11)7(9)2/h4-6H,3,11H2,1-2H3,(H2,12,13,14)
InChIKey
SLPGLTNWXHJIFT-UHFFFAOYSA-N
Compound name
1-(3-amino-2-methylphenyl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.1215 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.128776 143.4
[M+Na]+ 216.110718 149.9
[M-H]- 192.114224 147.0
[M+NH4]+ 211.155323 162.2
[M+K]+ 232.084658 147.7
[M+H-H2O]+ 176.118760 136.8
[M+HCOO]- 238.119701 169.5
[M+CH3COO]- 252.135351 191.7
[M+Na-2H]- 214.096166 148.1
[M]+ 193.12095142 141.1
[M]- 193.12204858 141.1
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.