CID 74892

Brn 2698579

Structural Information

Molecular Formula
C11H16I2N2O2S
SMILES
C1=CC(=CC=C1N(CCCI)CCI)S(=O)(=O)N
InChI
InChI=1S/C11H16I2N2O2S/c12-6-1-8-15(9-7-13)10-2-4-11(5-3-10)18(14,16)17/h2-5H,1,6-9H2,(H2,14,16,17)
InChIKey
ZYRFLSLXNQOJBL-UHFFFAOYSA-N
Compound name
4-[2-iodoethyl(3-iodopropyl)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.9022 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.90948 187.9
[M+Na]+ 516.89142 179.4
[M-H]- 492.89492 179.7
[M+NH4]+ 511.93602 193.5
[M+K]+ 532.86536 188.1
[M+H-H2O]+ 476.89946 174.5
[M+HCOO]- 538.90040 195.4
[M+CH3COO]- 552.91605 221.3
[M+Na-2H]- 514.87687 171.3
[M]+ 493.90165 184.8
[M]- 493.90275 184.8
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.