CID 362141

Nsc625727

Structural Information

Molecular Formula
C14H11NO2
SMILES
CC1=C(C(=O)C2=C(C1=O)C=C3N2C=CC=C3)C
InChI
InChI=1S/C14H11NO2/c1-8-9(2)14(17)12-11(13(8)16)7-10-5-3-4-6-15(10)12/h3-7H,1-2H3
InChIKey
SSXDJMSSVBOSAF-UHFFFAOYSA-N
Compound name
2,3-dimethylpyrido[1,2-a]indole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.07898 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 146.4
[M+Na]+ 248.06820 159.5
[M-H]- 224.07170 152.2
[M+NH4]+ 243.11280 168.3
[M+K]+ 264.04214 154.8
[M+H-H2O]+ 208.07624 140.4
[M+HCOO]- 270.07718 169.2
[M+CH3COO]- 284.09283 161.2
[M+Na-2H]- 246.05365 152.0
[M]+ 225.07843 150.4
[M]- 225.07953 150.4
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.