CID 14644

N-(4-(diethylamino)-2-butynyl)benzamide monohydrochloride

Structural Information

Molecular Formula
C15H20N2O
SMILES
CCN(CC)CC#CCNC(=O)C1=CC=CC=C1
InChI
InChI=1S/C15H20N2O/c1-3-17(4-2)13-9-8-12-16-15(18)14-10-6-5-7-11-14/h5-7,10-11H,3-4,12-13H2,1-2H3,(H,16,18)
InChIKey
IZOGEYQWDZJIKA-UHFFFAOYSA-N
Compound name
N-[4-(diethylamino)but-2-ynyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.15756 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.16484 162.6
[M+Na]+ 267.14678 168.9
[M-H]- 243.15028 164.8
[M+NH4]+ 262.19138 177.7
[M+K]+ 283.12072 165.2
[M+H-H2O]+ 227.15482 149.0
[M+HCOO]- 289.15576 181.0
[M+CH3COO]- 303.17141 207.0
[M+Na-2H]- 265.13223 164.8
[M]+ 244.15701 157.8
[M]- 244.15811 157.8
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.