CID 15956118

N-[3-(3-methylbut-2-enoxy)phenyl]pyrazin-2-amine

Structural Information

Molecular Formula
C15H17N3O
SMILES
CC(=CCOC1=CC=CC(=C1)NC2=NC=CN=C2)C
InChI
InChI=1S/C15H17N3O/c1-12(2)6-9-19-14-5-3-4-13(10-14)18-15-11-16-7-8-17-15/h3-8,10-11H,9H2,1-2H3,(H,17,18)
InChIKey
OBDIJMUYERYSDP-UHFFFAOYSA-N
Compound name
N-[3-(3-methylbut-2-enoxy)phenyl]pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.13716 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.144436 159.9
[M+Na]+ 278.126378 166.2
[M-H]- 254.129884 163.5
[M+NH4]+ 273.170983 173.5
[M+K]+ 294.100318 161.9
[M+H-H2O]+ 238.134420 150.2
[M+HCOO]- 300.135361 181.7
[M+CH3COO]- 314.151011 197.7
[M+Na-2H]- 276.111826 166.2
[M]+ 255.13661142 160.0
[M]- 255.13770858 160.0
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.