CID 5866373

100991-84-2

Structural Information

Molecular Formula
C15H13N5
SMILES
CN(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=C(C#N)C#N)N
InChI
InChI=1S/C15H13N5/c1-20(2)14-5-3-11(4-6-14)7-12(8-16)15(19)13(9-17)10-18/h3-7H,19H2,1-2H3/b12-7+
InChIKey
QUMMZKVVUJLANA-KPKJPENVSA-N
Compound name
(3Z)-2-amino-4-[4-(dimethylamino)phenyl]buta-1,3-diene-1,1,3-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

263.1171 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12438 183.1
[M+Na]+ 286.10632 189.0
[M-H]- 262.10982 186.5
[M+NH4]+ 281.15092 189.1
[M+K]+ 302.08026 186.1
[M+H-H2O]+ 246.11436 169.3
[M+HCOO]- 308.11530 187.7
[M+CH3COO]- 322.13095 242.5
[M+Na-2H]- 284.09177 178.8
[M]+ 263.11655 173.7
[M]- 263.11765 173.7
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

No patent data available for this compound.