CID 3078831

Benzamide, 4-cyano-n-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C19H21N3O2/c1-22(2)11-12-24-18-9-5-16(6-10-18)14-21-19(23)17-7-3-15(13-20)4-8-17/h3-10H,11-12,14H2,1-2H3,(H,21,23)
InChIKey
GSAFDYTWJWIXCA-UHFFFAOYSA-N
Compound name
4-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 182.2
[M+Na]+ 346.15262 189.1
[M-H]- 322.15612 187.9
[M+NH4]+ 341.19722 194.3
[M+K]+ 362.12656 184.8
[M+H-H2O]+ 306.16066 166.6
[M+HCOO]- 368.16160 202.8
[M+CH3COO]- 382.17725 225.7
[M+Na-2H]- 344.13807 183.9
[M]+ 323.16285 179.1
[M]- 323.16395 179.1
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.