CID 117366

Brn 0927610

Structural Information

Molecular Formula
C17H20N4
SMILES
C1CC2=CC=CC=C2N3C1CN(CC3)C4=C(C=NC=C4)N
InChI
InChI=1S/C17H20N4/c18-15-11-19-8-7-17(15)20-9-10-21-14(12-20)6-5-13-3-1-2-4-16(13)21/h1-4,7-8,11,14H,5-6,9-10,12,18H2
InChIKey
GUZOHLPBYOGINP-UHFFFAOYSA-N
Compound name
4-(1,2,4,4a,5,6-hexahydropyrazino[1,2-a]quinolin-3-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.1688 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.17608 166.9
[M+Na]+ 303.15802 172.8
[M-H]- 279.16152 169.4
[M+NH4]+ 298.20262 179.6
[M+K]+ 319.13196 166.2
[M+H-H2O]+ 263.16606 155.6
[M+HCOO]- 325.16700 180.2
[M+CH3COO]- 339.18265 175.6
[M+Na-2H]- 301.14347 172.7
[M]+ 280.16825 159.6
[M]- 280.16935 159.6
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

patents stripe