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]+ 256.14444 159.9
[M+Na]+ 278.12638 166.2
[M-H]- 254.12988 163.5
[M+NH4]+ 273.17098 173.5
[M+K]+ 294.10032 161.9
[M+H-H2O]+ 238.13442 150.2
[M+HCOO]- 300.13536 181.7
[M+CH3COO]- 314.15101 197.7
[M+Na-2H]- 276.11183 166.2
[M]+ 255.13661 160.0
[M]- 255.13771 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.