CID 40428296

1-(3-aminophenyl)-3-methylimidazolidin-2-one

Structural Information

Molecular Formula
C10H13N3O
SMILES
CN1CCN(C1=O)C2=CC=CC(=C2)N
InChI
InChI=1S/C10H13N3O/c1-12-5-6-13(10(12)14)9-4-2-3-8(11)7-9/h2-4,7H,5-6,11H2,1H3
InChIKey
BKKKYVAWUMMSGU-UHFFFAOYSA-N
Compound name
1-(3-aminophenyl)-3-methylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

191.10587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.113146 141.5
[M+Na]+ 214.095088 150.0
[M-H]- 190.098594 145.5
[M+NH4]+ 209.139693 159.9
[M+K]+ 230.069028 146.8
[M+H-H2O]+ 174.103130 133.7
[M+HCOO]- 236.104071 163.3
[M+CH3COO]- 250.119721 184.7
[M+Na-2H]- 212.080536 144.4
[M]+ 191.10532142 138.3
[M]- 191.10641858 138.3
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

patents stripe