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

7
Patents

232.10005 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.107326 152.5
[M+Na]+ 255.089268 161.0
[M-H]- 231.092774 157.0
[M+NH4]+ 250.133873 168.2
[M+K]+ 271.063208 154.6
[M+H-H2O]+ 215.097310 142.9
[M+HCOO]- 277.098251 173.4
[M+CH3COO]- 291.113901 164.4
[M+Na-2H]- 253.074716 162.0
[M]+ 232.09950142 151.4
[M]- 232.10059858 151.4
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

patents stripe