CID 3853258

3-amino-4-(dipropylamino)-n,n-diethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C16H29N3O2S
SMILES
CCCN(CCC)C1=C(C=C(C=C1)S(=O)(=O)N(CC)CC)N
InChI
InChI=1S/C16H29N3O2S/c1-5-11-18(12-6-2)16-10-9-14(13-15(16)17)22(20,21)19(7-3)8-4/h9-10,13H,5-8,11-12,17H2,1-4H3
InChIKey
HTUBEPGBKXNDKU-UHFFFAOYSA-N
Compound name
3-amino-4-(dipropylamino)-N,N-diethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.19806 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.20534 179.3
[M+Na]+ 350.18728 183.7
[M-H]- 326.19078 184.4
[M+NH4]+ 345.23188 194.1
[M+K]+ 366.16122 181.5
[M+H-H2O]+ 310.19532 170.9
[M+HCOO]- 372.19626 198.4
[M+CH3COO]- 386.21191 222.3
[M+Na-2H]- 348.17273 179.1
[M]+ 327.19751 184.5
[M]- 327.19861 184.5
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.