CID 387736

Nsc681765

Structural Information

Molecular Formula
C15H12N4
SMILES
C=CCN1C(=C(C(=C1N)C#N)C#N)C2=CC=CC=C2
InChI
InChI=1S/C15H12N4/c1-2-8-19-14(11-6-4-3-5-7-11)12(9-16)13(10-17)15(19)18/h2-7H,1,8,18H2
InChIKey
LYIQUPXTNPHHFY-UHFFFAOYSA-N
Compound name
2-amino-5-phenyl-1-prop-2-enylpyrrole-3,4-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.1062 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.11348 170.1
[M+Na]+ 271.09542 180.5
[M-H]- 247.09892 173.2
[M+NH4]+ 266.14002 181.0
[M+K]+ 287.06936 174.2
[M+H-H2O]+ 231.10346 153.0
[M+HCOO]- 293.10440 182.3
[M+CH3COO]- 307.12005 224.9
[M+Na-2H]- 269.08087 168.9
[M]+ 248.10565 161.0
[M]- 248.10675 161.0
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.