CID 145712526

Chebi:145652

Structural Information

Molecular Formula
C16H17N3O
SMILES
C1C[C@H]2C(=O)NC(=CN2C1)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C16H17N3O/c20-16-15-6-3-7-19(15)10-12(18-16)8-11-9-17-14-5-2-1-4-13(11)14/h1-2,4-5,9-10,15,17H,3,6-8H2,(H,18,20)/t15-/m0/s1
InChIKey
FJRBFGWVEWZBJD-HNNXBMFYSA-N
Compound name
(8aS)-3-(1H-indol-3-ylmethyl)-6,7,8,8a-tetrahydro-2H-pyrrolo[1,2-a]pyrazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.13718 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.144456 161.8
[M+Na]+ 290.126398 170.1
[M-H]- 266.129904 164.0
[M+NH4]+ 285.171003 178.4
[M+K]+ 306.100338 163.1
[M+H-H2O]+ 250.134440 153.4
[M+HCOO]- 312.135381 177.2
[M+CH3COO]- 326.151031 172.1
[M+Na-2H]- 288.111846 163.5
[M]+ 267.13663142 157.8
[M]- 267.13772858 157.8
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.