CID 115823

1,1,2-ethanetricarbonitrile, 2-(4-(dibutylamino)phenyl)-

Structural Information

Molecular Formula
C19H24N4
SMILES
CCCCN(CCCC)C1=CC=C(C=C1)C(C#N)C(C#N)C#N
InChI
InChI=1S/C19H24N4/c1-3-5-11-23(12-6-4-2)18-9-7-16(8-10-18)19(15-22)17(13-20)14-21/h7-10,17,19H,3-6,11-12H2,1-2H3
InChIKey
AIFYEZSBVMGGAN-UHFFFAOYSA-N
Compound name
2-[4-(dibutylamino)phenyl]ethane-1,1,2-tricarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.2001 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.20738 209.1
[M+Na]+ 331.18932 213.2
[M+NH4]+ 326.23392 207.3
[M+K]+ 347.16326 203.6
[M-H]- 307.19282 200.1
[M+Na-2H]- 329.17477 204.8
[M]+ 308.19955 206.1
[M]- 308.20065 206.1
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.