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]+ 242.128776 153.8
[M+Na]+ 264.110718 164.6
[M-H]- 240.114224 156.9
[M+NH4]+ 259.155323 174.3
[M+K]+ 280.084658 159.9
[M+H-H2O]+ 224.118760 145.7
[M+HCOO]- 286.119701 172.5
[M+CH3COO]- 300.135351 166.4
[M+Na-2H]- 262.096166 158.7
[M]+ 241.12095142 156.0
[M]- 241.12204858 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.