CID 3845850

3,4-diamino-n,n-diethyl-benzenesulfonamide

Structural Information

Molecular Formula

C₁₀H₁₇N₃O₂S

SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N)N

InChI

InChI=1S/C10H17N3O2S/c1-3-13(4-2)16(14,15)8-5-6-9(11)10(12)7-8/h5-7H,3-4,11-12H2,1-2H3

InChIKey

AMLGOCJQWVBKMR-UHFFFAOYSA-N

Compound name

3,4-diamino-N,N-diethylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 243.10414 Da
Monoisotopic Mass: 1.0
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]+	244.111416	152.8
[M+Na]+	266.093358	159.7
[M-H]-	242.096864	157.0
[M+NH4]+	261.137963	170.1
[M+K]+	282.067298	157.0
[M+H-H2O]+	226.101400	145.8
[M+HCOO]-	288.102341	172.8
[M+CH3COO]-	302.117991	200.4
[M+Na-2H]-	264.078806	155.1
[M]+	243.10359142	153.6
[M]-	243.10468858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe