CID 3031106

Niosh/ue3584000

Structural Information

Molecular Formula
C14H24N2OS
SMILES
CCC(=O)N(CC(C)N(CC)CC)C1=CC=CS1
InChI
InChI=1S/C14H24N2OS/c1-5-13(17)16(14-9-8-10-18-14)11-12(4)15(6-2)7-3/h8-10,12H,5-7,11H2,1-4H3
InChIKey
HDJUQWCCLSHCPS-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)propyl]-N-thiophen-2-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.16095 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.16823 169.0
[M+Na]+ 291.15017 172.6
[M-H]- 267.15367 174.7
[M+NH4]+ 286.19477 188.2
[M+K]+ 307.12411 172.3
[M+H-H2O]+ 251.15821 161.3
[M+HCOO]- 313.15915 188.3
[M+CH3COO]- 327.17480 209.0
[M+Na-2H]- 289.13562 166.1
[M]+ 268.16040 174.0
[M]- 268.16150 174.0
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

No patent data available for this compound.