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]+ 253.13355 157.6
[M+Na]+ 275.11549 167.4
[M-H]- 251.11899 159.5
[M+NH4]+ 270.16009 176.9
[M+K]+ 291.08943 160.8
[M+H-H2O]+ 235.12353 149.9
[M+HCOO]- 297.12447 173.3
[M+CH3COO]- 311.14012 169.0
[M+Na-2H]- 273.10094 163.1
[M]+ 252.12572 157.4
[M]- 252.12682 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.