CID 145944410

Chebi:145928

Structural Information

Molecular Formula
C16H16N3O
SMILES
C1CC2=[N+](C1)C=C(NC2=O)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H15N3O/c20-16-15-6-3-7-19(15)10-12(18-16)8-11-9-17-14-5-2-1-4-13(11)14/h1-2,4-5,9-10,17H,3,6-8H2/p+1
InChIKey
FWQUFPSRHRHXPN-UHFFFAOYSA-O
Compound name
3-(1H-indol-3-ylmethyl)-2,6,7,8-tetrahydropyrrolo[1,2-a]pyrazin-5-ium-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12933 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13661 161.8
[M+Na]+ 289.11855 171.8
[M-H]- 265.12205 165.2
[M+NH4]+ 284.16315 178.3
[M+K]+ 305.09249 159.1
[M+H-H2O]+ 249.12659 156.2
[M+HCOO]- 311.12753 179.7
[M+CH3COO]- 325.14318 172.9
[M+Na-2H]- 287.10400 168.1
[M]+ 266.12878 159.5
[M]- 266.12988 159.5
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.