CID 6433479

4-styrylcinnoline

Structural Information

Molecular Formula
C16H12N2
SMILES
C1=CC=C(C=C1)/C=C\C2=CN=NC3=CC=CC=C32
InChI
InChI=1S/C16H12N2/c1-2-6-13(7-3-1)10-11-14-12-17-18-16-9-5-4-8-15(14)16/h1-12H/b11-10-
InChIKey
VQXIUGSZPAZYGV-KHPPLWFESA-N
Compound name
4-[(Z)-2-phenylethenyl]cinnoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

8
Patents

232.10005 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.10733 153.2
[M+Na]+ 255.08927 170.8
[M+NH4]+ 250.13387 162.9
[M+K]+ 271.06321 160.5
[M-H]- 231.09277 158.6
[M+Na-2H]- 253.07472 164.7
[M]+ 232.09950 157.5
[M]- 232.10060 157.5
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.