CID 89011

21678-64-8

Structural Information

Molecular Formula
C14H16N4O
SMILES
CC(=O)NC1=CC(=CC=C1)N(CCC#N)CCC#N
InChI
InChI=1S/C14H16N4O/c1-12(19)17-13-5-2-6-14(11-13)18(9-3-7-15)10-4-8-16/h2,5-6,11H,3-4,9-10H2,1H3,(H,17,19)
InChIKey
WDZNAWTYQUZIPL-UHFFFAOYSA-N
Compound name
N-[3-[bis(2-cyanoethyl)amino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

256.13242 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.139696 170.5
[M+Na]+ 279.121638 177.7
[M-H]- 255.125144 173.8
[M+NH4]+ 274.166243 181.1
[M+K]+ 295.095578 175.0
[M+H-H2O]+ 239.129680 154.0
[M+HCOO]- 301.130621 183.5
[M+CH3COO]- 315.146271 229.2
[M+Na-2H]- 277.107086 170.8
[M]+ 256.13187142 163.0
[M]- 256.13296858 163.0
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