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]+ 256.144436 158.0
[M+Na]+ 278.126378 167.5
[M-H]- 254.129884 160.1
[M+NH4]+ 273.170983 175.8
[M+K]+ 294.100318 162.1
[M+H-H2O]+ 238.134420 148.6
[M+HCOO]- 300.135361 173.9
[M+CH3COO]- 314.151011 169.3
[M+Na-2H]- 276.111826 164.5
[M]+ 255.13661142 158.1
[M]- 255.13770858 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.