CID 15956119

N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]pyrazin-2-amine

Structural Information

Molecular Formula
C15H16ClN3O
SMILES
CC(=CCOC1=C(C=CC(=C1)NC2=NC=CN=C2)Cl)C
InChI
InChI=1S/C15H16ClN3O/c1-11(2)5-8-20-14-9-12(3-4-13(14)16)19-15-10-17-6-7-18-15/h3-7,9-10H,8H2,1-2H3,(H,18,19)
InChIKey
MTBMZHFHXAAZPX-UHFFFAOYSA-N
Compound name
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.09818 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10546 166.0
[M+Na]+ 312.08740 173.9
[M-H]- 288.09090 169.7
[M+NH4]+ 307.13200 179.4
[M+K]+ 328.06134 168.0
[M+H-H2O]+ 272.09544 157.0
[M+HCOO]- 334.09638 183.2
[M+CH3COO]- 348.11203 202.6
[M+Na-2H]- 310.07285 171.0
[M]+ 289.09763 168.6
[M]- 289.09873 168.6
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.