CID 5328748

Ag-370

Structural Information

Molecular Formula
C15H9N5
SMILES
C1=CC2=C(C=CN2)C=C1/C=C(\C#N)/C(=C(C#N)C#N)N
InChI
InChI=1S/C15H9N5/c16-7-12(15(19)13(8-17)9-18)6-10-1-2-14-11(5-10)3-4-20-14/h1-6,20H,19H2/b12-6+
InChIKey
CMMDWEJTQUTCKG-WUXMJOGZSA-N
Compound name
(3Z)-2-amino-4-(1H-indol-5-yl)buta-1,3-diene-1,1,3-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

113
Patents

259.0858 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09308 185.5
[M+Na]+ 282.07502 192.7
[M-H]- 258.07852 187.1
[M+NH4]+ 277.11962 191.5
[M+K]+ 298.04896 186.9
[M+H-H2O]+ 242.08306 171.1
[M+HCOO]- 304.08400 188.9
[M+CH3COO]- 318.09965 186.8
[M+Na-2H]- 280.06047 181.5
[M]+ 259.08525 175.6
[M]- 259.08635 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe