CID 54580815

Nicalaterine a

Structural Information

Molecular Formula
C19H19N2O
SMILES
CCC1=C[N+]2=C(C=C1CCO)C3=C(C=C2)C4=CC=CC=C4N3
InChI
InChI=1S/C19H18N2O/c1-2-13-12-21-9-7-16-15-5-3-4-6-17(15)20-19(16)18(21)11-14(13)8-10-22/h3-7,9,11-12,22H,2,8,10H2,1H3/p+1
InChIKey
XHUIUBANZNHJEL-UHFFFAOYSA-O
Compound name
2-(3-ethyl-12H-indolo[2,3-a]quinolizin-5-ium-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.14975 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15703 170.7
[M+Na]+ 314.13897 182.1
[M-H]- 290.14247 173.3
[M+NH4]+ 309.18357 187.4
[M+K]+ 330.11291 168.5
[M+H-H2O]+ 274.14701 165.4
[M+HCOO]- 336.14795 188.9
[M+CH3COO]- 350.16360 181.8
[M+Na-2H]- 312.12442 180.1
[M]+ 291.14920 173.1
[M]- 291.15030 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.