CID 30500

21140-77-2

Structural Information

Molecular Formula
C16H26N2O3S
SMILES
CCN(CC)CCNC(=O)C1=CC=C(C=C1)S(=O)(=O)C(C)C
InChI
InChI=1S/C16H26N2O3S/c1-5-18(6-2)12-11-17-16(19)14-7-9-15(10-8-14)22(20,21)13(3)4/h7-10,13H,5-6,11-12H2,1-4H3,(H,17,19)
InChIKey
SSQJVLWYFZVKPZ-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-4-propan-2-ylsulfonylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1664 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17368 178.0
[M+Na]+ 349.15562 185.4
[M+NH4]+ 344.20022 183.4
[M+K]+ 365.12956 179.4
[M-H]- 325.15912 178.6
[M+Na-2H]- 347.14107 181.3
[M]+ 326.16585 179.4
[M]- 326.16695 179.4
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.