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

27
Patents

191.10587 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 141.5
[M+Na]+ 214.09509 150.0
[M-H]- 190.09859 145.5
[M+NH4]+ 209.13969 159.9
[M+K]+ 230.06903 146.8
[M+H-H2O]+ 174.10313 133.7
[M+HCOO]- 236.10407 163.3
[M+CH3COO]- 250.11972 184.7
[M+Na-2H]- 212.08054 144.4
[M]+ 191.10532 138.3
[M]- 191.10642 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