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 177.8
[M+Na]+ 349.15562 181.7
[M-H]- 325.15912 181.9
[M+NH4]+ 344.20022 192.2
[M+K]+ 365.12956 179.5
[M+H-H2O]+ 309.16366 170.1
[M+HCOO]- 371.16460 194.6
[M+CH3COO]- 385.18025 215.5
[M+Na-2H]- 347.14107 177.6
[M]+ 326.16585 182.7
[M]- 326.16695 182.7
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.