CID 5926495

Nsc633392

Structural Information

Molecular Formula
C16H9N5
SMILES
C1=CC=C2C(=C1)C(=CC=N2)/C=C(\C#N)/C(=C(C#N)C#N)N
InChI
InChI=1S/C16H9N5/c17-8-12(16(20)13(9-18)10-19)7-11-5-6-21-15-4-2-1-3-14(11)15/h1-7H,20H2/b12-7+
InChIKey
WUHQDOPBKHBJIG-KPKJPENVSA-N
Compound name
(3Z)-2-amino-4-quinolin-4-ylbuta-1,3-diene-1,1,3-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0858 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09308 183.5
[M+Na]+ 294.07502 190.4
[M-H]- 270.07852 185.4
[M+NH4]+ 289.11962 188.9
[M+K]+ 310.04896 184.7
[M+H-H2O]+ 254.08306 169.4
[M+HCOO]- 316.08400 186.6
[M+CH3COO]- 330.09965 240.5
[M+Na-2H]- 292.06047 180.3
[M]+ 271.08525 173.6
[M]- 271.08635 173.6
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.