CID 98965

Mls000756286

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CN1CC(C=C2C1CC3=CNC4=CC=CC2=C34)C(=O)OC
InChI
InChI=1S/C17H18N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-6,8,11,15,18H,7,9H2,1-2H3
InChIKey
RNHDWLRHUJZABX-UHFFFAOYSA-N
Compound name
methyl 7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

170
Patents

282.13684 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 165.8
[M+Na]+ 305.12606 174.5
[M-H]- 281.12956 167.5
[M+NH4]+ 300.17066 183.7
[M+K]+ 321.10000 169.0
[M+H-H2O]+ 265.13410 158.0
[M+HCOO]- 327.13504 180.2
[M+CH3COO]- 341.15069 176.4
[M+Na-2H]- 303.11151 169.7
[M]+ 282.13629 166.6
[M]- 282.13739 166.6
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.