CID 378991

Nsc662583

Structural Information

Molecular Formula
C14H11NO
SMILES
CC1=CC2=CC3=CC=CC=C3C=C2C(=O)N1
InChI
InChI=1S/C14H11NO/c1-9-6-12-7-10-4-2-3-5-11(10)8-13(12)14(16)15-9/h2-8H,1H3,(H,15,16)
InChIKey
OUQRGDPKEWFVAN-UHFFFAOYSA-N
Compound name
3-methyl-2H-benzo[g]isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.08406 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 142.3
[M+Na]+ 232.07328 154.1
[M-H]- 208.07678 146.1
[M+NH4]+ 227.11788 161.8
[M+K]+ 248.04722 148.0
[M+H-H2O]+ 192.08132 135.4
[M+HCOO]- 254.08226 163.8
[M+CH3COO]- 268.09791 156.0
[M+Na-2H]- 230.05873 152.6
[M]+ 209.08351 143.4
[M]- 209.08461 143.4
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.