CID 2189414

63504-26-7

Structural Information

Molecular Formula
C19H22N4
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)C(=C(C#N)C#N)C#N
InChI
InChI=1S/C19H22N4/c1-3-5-11-23(12-6-4-2)18-9-7-16(8-10-18)19(15-22)17(13-20)14-21/h7-10H,3-6,11-12H2,1-2H3
InChIKey
NBYCHAQZDVGBCZ-UHFFFAOYSA-N
Compound name
2-[4-(dibutylamino)phenyl]ethene-1,1,2-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

52
Patents

306.18445 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.19173 182.0
[M+Na]+ 329.17367 187.9
[M-H]- 305.17717 185.5
[M+NH4]+ 324.21827 187.8
[M+K]+ 345.14761 184.3
[M+H-H2O]+ 289.18171 168.1
[M+HCOO]- 351.18265 186.6
[M+CH3COO]- 365.19830 245.5
[M+Na-2H]- 327.15912 178.4
[M]+ 306.18390 174.5
[M]- 306.18500 174.5
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