CID 9589301

126826-74-2

Structural Information

Molecular Formula
C18H26N4O2S
SMILES
CCN1CCCC1=NC2=CC=C(C=C2)S(=O)(=O)/N=C\3/CCCN3CC
InChI
InChI=1S/C18H26N4O2S/c1-3-21-13-5-7-17(21)19-15-9-11-16(12-10-15)25(23,24)20-18-8-6-14-22(18)4-2/h9-12H,3-8,13-14H2,1-2H3/b19-17?,20-18-
InChIKey
QVJQJSQQEFQJHG-FKVHLOHMSA-N
Compound name
(NZ)-N-(1-ethylpyrrolidin-2-ylidene)-4-[(1-ethylpyrrolidin-2-ylidene)amino]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 188.4
[M+Na]+ 385.166858 194.1
[M-H]- 361.170364 198.0
[M+NH4]+ 380.211463 203.1
[M+K]+ 401.140798 190.1
[M+H-H2O]+ 345.174900 179.6
[M+HCOO]- 407.175841 205.8
[M+CH3COO]- 421.191491 218.5
[M+Na-2H]- 383.152306 186.0
[M]+ 362.17709142 188.8
[M]- 362.17818858 188.8
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.