CID 6482667

6-(4-methoxyphenyl)-n-[2-(3-pyridyl)ethyl]pyrazin-2-amine

Structural Information

Molecular Formula
C18H18N4O
SMILES
COC1=CC=C(C=C1)C2=CN=CC(=N2)NCCC3=CN=CC=C3
InChI
InChI=1S/C18H18N4O/c1-23-16-6-4-15(5-7-16)17-12-20-13-18(22-17)21-10-8-14-3-2-9-19-11-14/h2-7,9,11-13H,8,10H2,1H3,(H,21,22)
InChIKey
VBLHBILLHLCPFD-UHFFFAOYSA-N
Compound name
6-(4-methoxyphenyl)-N-(2-pyridin-3-ylethyl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.14807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15535 172.8
[M+Na]+ 329.13729 179.8
[M-H]- 305.14079 178.1
[M+NH4]+ 324.18189 182.5
[M+K]+ 345.11123 173.7
[M+H-H2O]+ 289.14533 160.8
[M+HCOO]- 351.14627 194.0
[M+CH3COO]- 365.16192 182.7
[M+Na-2H]- 327.12274 180.5
[M]+ 306.14752 173.3
[M]- 306.14862 173.3
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