CID 3038974

(+-)-3,4,6,7,12,12a-hexahydropyrazino(1',2':1,6)pyrido(3,4-b)indole-2(1h)-propanenitrile

Structural Information

Molecular Formula
C17H20N4
SMILES
C1CN2CC3=C(CC2CN1CCC#N)C4=CC=CC=C4N3
InChI
InChI=1S/C17H20N4/c18-6-3-7-20-8-9-21-12-17-15(10-13(21)11-20)14-4-1-2-5-16(14)19-17/h1-2,4-5,13,19H,3,7-12H2
InChIKey
UEJRJKHVAOOBIU-UHFFFAOYSA-N
Compound name
3-(3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-6-yl)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1688 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17608 174.8
[M+Na]+ 303.15802 187.1
[M+NH4]+ 298.20262 180.0
[M+K]+ 319.13196 176.8
[M-H]- 279.16152 169.3
[M+Na-2H]- 301.14347 175.1
[M]+ 280.16825 174.1
[M]- 280.16935 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.