CID 14644

1219-47-2

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]+ 245.164836 162.6
[M+Na]+ 267.146778 168.9
[M-H]- 243.150284 164.8
[M+NH4]+ 262.191383 177.7
[M+K]+ 283.120718 165.2
[M+H-H2O]+ 227.154820 149.0
[M+HCOO]- 289.155761 181.0
[M+CH3COO]- 303.171411 207.0
[M+Na-2H]- 265.132226 164.8
[M]+ 244.15701142 157.8
[M]- 244.15810858 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.