CID 24846271

Sulfanilamide, n(sup 1)-(2-diethylaminoethyl)-n(sup 1)-(3-pyridylmethyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H26N4O2S
SMILES
CCN(CC)CCN(CC1=CN=CC=C1)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C18H26N4O2S/c1-3-21(4-2)12-13-22(15-16-6-5-11-20-14-16)25(23,24)18-9-7-17(19)8-10-18/h5-11,14H,3-4,12-13,15,19H2,1-2H3
InChIKey
WBSVRKMCPVMFGQ-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(diethylamino)ethyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.17764 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.184916 185.8
[M+Na]+ 385.166858 190.0
[M-H]- 361.170364 192.6
[M+NH4]+ 380.211463 197.2
[M+K]+ 401.140798 186.6
[M+H-H2O]+ 345.174900 175.7
[M+HCOO]- 407.175841 204.8
[M+CH3COO]- 421.191491 225.3
[M+Na-2H]- 383.152306 188.7
[M]+ 362.17709142 189.4
[M]- 362.17818858 189.4
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.