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
2
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 180.3
[M+Na]+ 331.18932 186.1
[M-H]- 307.19282 183.8
[M+NH4]+ 326.23392 186.1
[M+K]+ 347.16326 182.8
[M+H-H2O]+ 291.19736 166.5
[M+HCOO]- 353.19830 184.9
[M+CH3COO]- 367.21395 246.0
[M+Na-2H]- 329.17477 176.9
[M]+ 308.19955 173.2
[M]- 308.20065 173.2
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.