CID 198821

1-propanol, 3,3'-(phenylimino)di-, dimethanesulfonate (ester), hydrochloride

Structural Information

Molecular Formula
C14H23NO6S2
SMILES
CS(=O)(=O)OCCCN(CCCOS(=O)(=O)C)C1=CC=CC=C1
InChI
InChI=1S/C14H23NO6S2/c1-22(16,17)20-12-6-10-15(14-8-4-3-5-9-14)11-7-13-21-23(2,18)19/h3-5,8-9H,6-7,10-13H2,1-2H3
InChIKey
OFDPDQPXERZBHW-UHFFFAOYSA-N
Compound name
3-[N-(3-methylsulfonyloxypropyl)anilino]propyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.09668 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.10396 183.2
[M+Na]+ 388.08590 187.8
[M-H]- 364.08940 186.6
[M+NH4]+ 383.13050 195.8
[M+K]+ 404.05984 184.8
[M+H-H2O]+ 348.09394 175.4
[M+HCOO]- 410.09488 195.4
[M+CH3COO]- 424.11053 212.4
[M+Na-2H]- 386.07135 186.5
[M]+ 365.09613 192.4
[M]- 365.09723 192.4
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.