CID 395571

Nsc700277

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC(C)C1=CC(=O)NC2=C1C=CC(=C2)N
InChI
InChI=1S/C12H14N2O/c1-7(2)10-6-12(15)14-11-5-8(13)3-4-9(10)11/h3-7H,13H2,1-2H3,(H,14,15)
InChIKey
SVDMFRWGUCQNBQ-UHFFFAOYSA-N
Compound name
7-amino-4-propan-2-yl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.11789 144.0
[M+Na]+ 225.09983 153.1
[M-H]- 201.10333 146.0
[M+NH4]+ 220.14443 162.2
[M+K]+ 241.07377 148.7
[M+H-H2O]+ 185.10787 137.5
[M+HCOO]- 247.10881 164.4
[M+CH3COO]- 261.12446 187.8
[M+Na-2H]- 223.08528 149.4
[M]+ 202.11006 142.0
[M]- 202.11116 142.0
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.