CID 19881026

Ec 407-650-8

Structural Information

Molecular Formula
C23H22N4
SMILES
CCCCN(CCC1=CC=CC=C1)C2=CC=C(C=C2)C(=C(C#N)C#N)C#N
InChI
InChI=1S/C23H22N4/c1-2-3-14-27(15-13-19-7-5-4-6-8-19)22-11-9-20(10-12-22)23(18-26)21(16-24)17-25/h4-12H,2-3,13-15H2,1H3
InChIKey
TVMZZRBABRWPFV-UHFFFAOYSA-N
Compound name
2-[4-[butyl(2-phenylethyl)amino]phenyl]ethene-1,1,2-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

354.18445 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.19173 191.9
[M+Na]+ 377.17367 198.2
[M-H]- 353.17717 195.4
[M+NH4]+ 372.21827 196.5
[M+K]+ 393.14761 192.3
[M+H-H2O]+ 337.18171 177.4
[M+HCOO]- 399.18265 196.1
[M+CH3COO]- 413.19830 248.1
[M+Na-2H]- 375.15912 187.8
[M]+ 354.18390 183.6
[M]- 354.18500 183.6
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