CID 3018914

80198-26-1

Structural Information

Molecular Formula

C₁₅H₂₇N₃O₂S

SMILES

CCCCN(CCCC)S(=O)(=O)C1=CC(=C(C(=C1)N)C)N

InChI

InChI=1S/C15H27N3O2S/c1-4-6-8-18(9-7-5-2)21(19,20)13-10-14(16)12(3)15(17)11-13/h10-11H,4-9,16-17H2,1-3H3

InChIKey

QKJFIJCITRHJRN-UHFFFAOYSA-N

Compound name

3,5-diamino-N,N-dibutyl-4-methylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 313.1824 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.189676	174.6
[M+Na]+	336.171618	180.1
[M-H]-	312.175124	178.2
[M+NH4]+	331.216223	189.4
[M+K]+	352.145558	176.4
[M+H-H2O]+	296.179660	166.9
[M+HCOO]-	358.180601	192.9
[M+CH3COO]-	372.196251	216.8
[M+Na-2H]-	334.157066	173.9
[M]+	313.18185142	177.6
[M]-	313.18294858	177.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe