CID 6079066

Nsc672195

Structural Information

Molecular Formula
C13H11N3O
SMILES
COC1=CC2=C(C=C1)N=C(C=C2)/C(=C/C#N)/N
InChI
InChI=1S/C13H11N3O/c1-17-10-3-5-12-9(8-10)2-4-13(16-12)11(15)6-7-14/h2-6,8H,15H2,1H3/b11-6-
InChIKey
KHALSODSJYZRDR-WDZFZDKYSA-N
Compound name
(Z)-3-amino-3-(6-methoxyquinolin-2-yl)prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.09021 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 153.9
[M+Na]+ 248.07943 164.0
[M-H]- 224.08293 155.7
[M+NH4]+ 243.12403 169.4
[M+K]+ 264.05337 158.5
[M+H-H2O]+ 208.08747 140.1
[M+HCOO]- 270.08841 171.7
[M+CH3COO]- 284.10406 203.6
[M+Na-2H]- 246.06488 158.9
[M]+ 225.08966 148.1
[M]- 225.09076 148.1
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.