CID 359333

39085-59-1

Structural Information

Molecular Formula

C₁₅H₂₆N₂O₂S

SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NN)C(C)C

InChI

InChI=1S/C15H26N2O2S/c1-9(2)12-7-13(10(3)4)15(20(18,19)17-16)14(8-12)11(5)6/h7-11,17H,16H2,1-6H3

InChIKey

UGRVYFQFDZRNMQ-UHFFFAOYSA-N

Compound name

2,4,6-tri(propan-2-yl)benzenesulfonohydrazide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 815
Patents: 298.1715 Da
Monoisotopic Mass: 3.5
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]+	299.17878	170.0
[M+Na]+	321.16072	175.4
[M-H]-	297.16422	173.0
[M+NH4]+	316.20532	185.2
[M+K]+	337.13466	172.4
[M+H-H2O]+	281.16876	163.4
[M+HCOO]-	343.16970	184.4
[M+CH3COO]-	357.18535	211.5
[M+Na-2H]-	319.14617	167.3
[M]+	298.17095	171.8
[M]-	298.17205	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe