CID 6482699

Schembl4994021

Structural Information

Molecular Formula
C17H17N3O
SMILES
CC1=C(C=C(C=C1)C2=CN=CC(=N2)NCC3=CC=CO3)C
InChI
InChI=1S/C17H17N3O/c1-12-5-6-14(8-13(12)2)16-10-18-11-17(20-16)19-9-15-4-3-7-21-15/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKey
DQDFCPJZYKFOJD-UHFFFAOYSA-N
Compound name
6-(3,4-dimethylphenyl)-N-(furan-2-ylmethyl)pyrazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

279.13718 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.14446 165.4
[M+Na]+ 302.12640 174.0
[M-H]- 278.12990 173.7
[M+NH4]+ 297.17100 178.8
[M+K]+ 318.10034 169.8
[M+H-H2O]+ 262.13444 155.6
[M+HCOO]- 324.13538 188.5
[M+CH3COO]- 338.15103 177.5
[M+Na-2H]- 300.11185 170.3
[M]+ 279.13663 167.2
[M]- 279.13773 167.2
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

No patent data available for this compound.