CID 9589300

126826-73-1

Structural Information

Molecular Formula
C16H22N4O2S
SMILES
CN1CCCC1=NC2=CC=C(C=C2)S(=O)(=O)/N=C\3/CCCN3C
InChI
InChI=1S/C16H22N4O2S/c1-19-11-3-5-15(19)17-13-7-9-14(10-8-13)23(21,22)18-16-6-4-12-20(16)2/h7-10H,3-6,11-12H2,1-2H3/b17-15?,18-16-
InChIKey
PATMDZCYMFAZSK-PWNRRAGASA-N
Compound name
(NZ)-N-(1-methylpyrrolidin-2-ylidene)-4-[(1-methylpyrrolidin-2-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.14636 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15364 180.0
[M+Na]+ 357.13558 186.7
[M-H]- 333.13908 190.0
[M+NH4]+ 352.18018 195.9
[M+K]+ 373.10952 183.1
[M+H-H2O]+ 317.14362 171.7
[M+HCOO]- 379.14456 198.1
[M+CH3COO]- 393.16021 212.6
[M+Na-2H]- 355.12103 178.5
[M]+ 334.14581 179.8
[M]- 334.14691 179.8
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.