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]+ 268.14446 161.8
[M+Na]+ 290.12640 170.1
[M-H]- 266.12990 164.0
[M+NH4]+ 285.17100 178.4
[M+K]+ 306.10034 163.1
[M+H-H2O]+ 250.13444 153.4
[M+HCOO]- 312.13538 177.2
[M+CH3COO]- 326.15103 172.1
[M+Na-2H]- 288.11185 163.5
[M]+ 267.13663 157.8
[M]- 267.13773 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.