CID 646812

2h-pyrimido(2',1':3,4)pyrazino(1,2-a)indole, 3,4,6,7-tetrahydro-11-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C15H17N3O
SMILES
COC1=CC2=C(C=C1)N3CCN4CCCN=C4C3=C2
InChI
InChI=1S/C15H17N3O/c1-19-12-3-4-13-11(9-12)10-14-15-16-5-2-6-17(15)7-8-18(13)14/h3-4,9-10H,2,5-8H2,1H3
InChIKey
RPYFWWHSPMJDNM-UHFFFAOYSA-N
Compound name
14-methoxy-3,7,10-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,11(16),12,14-pentaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

0
Patents

255.13716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.14444 158.0
[M+Na]+ 278.12638 167.5
[M-H]- 254.12988 160.1
[M+NH4]+ 273.17098 175.8
[M+K]+ 294.10032 162.1
[M+H-H2O]+ 238.13442 148.6
[M+HCOO]- 300.13536 173.9
[M+CH3COO]- 314.15101 169.3
[M+Na-2H]- 276.11183 164.5
[M]+ 255.13661 158.1
[M]- 255.13771 158.1
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.