CID 17414308

N-(4-chlorobenzyl)-n-methylbenzene-1,4-disulfonamide

Structural Information

Molecular Formula
C14H15ClN2O4S2
SMILES
CN(CC1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C14H15ClN2O4S2/c1-17(10-11-2-4-12(15)5-3-11)23(20,21)14-8-6-13(7-9-14)22(16,18)19/h2-9H,10H2,1H3,(H2,16,18,19)
InChIKey
IPPUTOHDQOYDIL-UHFFFAOYSA-N
Compound name
4-N-[(4-chlorophenyl)methyl]-4-N-methylbenzene-1,4-disulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

374.01617 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.02345 181.0
[M+Na]+ 397.00539 188.9
[M-H]- 373.00889 188.4
[M+NH4]+ 392.04999 193.9
[M+K]+ 412.97933 182.7
[M+H-H2O]+ 357.01343 174.3
[M+HCOO]- 419.01437 190.2
[M+CH3COO]- 433.03002 214.6
[M+Na-2H]- 394.99084 184.8
[M]+ 374.01562 186.2
[M]- 374.01672 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe