CID 3080186

Imidazo(2',1':3,4)pyrazino(1,2-a)indole, 2,3,5,6-tetrahydro-10-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C14H15N3O
SMILES
COC1=CC2=C(C=C1)N3CCN4CCN=C4C3=C2
InChI
InChI=1S/C14H15N3O/c1-18-11-2-3-12-10(8-11)9-13-14-15-4-5-16(14)6-7-17(12)13/h2-3,8-9H,4-7H2,1H3
InChIKey
PPXBJJIEBCGBDW-UHFFFAOYSA-N
Compound name
13-methoxy-3,6,9-triazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2,10(15),11,13-pentaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.1215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.12878 153.8
[M+Na]+ 264.11072 164.6
[M-H]- 240.11422 156.9
[M+NH4]+ 259.15532 174.3
[M+K]+ 280.08466 159.9
[M+H-H2O]+ 224.11876 145.7
[M+HCOO]- 286.11970 172.5
[M+CH3COO]- 300.13535 166.4
[M+Na-2H]- 262.09617 158.7
[M]+ 241.12095 156.0
[M]- 241.12205 156.0
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.