CID 6413209

Nsc633266

Structural Information

Molecular Formula
C15H18N4O3S
SMILES
CC1=CC(=C(C(=C1)C)S(=O)(=O)N/N=C(/C)\C2=N[N+](=CC=C2)[O-])C
InChI
InChI=1S/C15H18N4O3S/c1-10-8-11(2)15(12(3)9-10)23(21,22)18-16-13(4)14-6-5-7-19(20)17-14/h5-9,18H,1-4H3/b16-13-
InChIKey
AUWDZKJNJNBFAD-SSZFMOIBSA-N
Compound name
2,4,6-trimethyl-N-[(Z)-1-(1-oxidopyridazin-1-ium-3-yl)ethylideneamino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.10995 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.11723 175.0
[M+Na]+ 357.09917 182.7
[M-H]- 333.10267 179.9
[M+NH4]+ 352.14377 185.7
[M+K]+ 373.07311 172.9
[M+H-H2O]+ 317.10721 170.6
[M+HCOO]- 379.10815 192.0
[M+CH3COO]- 393.12380 204.8
[M+Na-2H]- 355.08462 180.7
[M]+ 334.10940 175.6
[M]- 334.11050 175.6
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.