CID 90658273

Elymoclavine aldehyde

Structural Information

Molecular Formula
C16H16N2O
SMILES
CN1CC(=C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)C=O
InChI
InChI=1S/C16H16N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,9,13,15,17H,6,8H2,1H3/t13-,15-/m1/s1
InChIKey
ZSVWAMUOHZSBLB-UKRRQHHQSA-N
Compound name
(6aR,10aR)-7-methyl-6,6a,8,10a-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.133546 157.6
[M+Na]+ 275.115488 167.4
[M-H]- 251.118994 159.5
[M+NH4]+ 270.160093 176.9
[M+K]+ 291.089428 160.8
[M+H-H2O]+ 235.123530 149.9
[M+HCOO]- 297.124471 173.3
[M+CH3COO]- 311.140121 169.0
[M+Na-2H]- 273.100936 163.1
[M]+ 252.12572142 157.4
[M]- 252.12681858 157.4
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.