CID 5361910

Zinviroxime

Structural Information

Molecular Formula
C17H18N4O3S
SMILES
CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)/C(=N\O)/C3=CC=CC=C3)N=C1N
InChI
InChI=1S/C17H18N4O3S/c1-11(2)25(23,24)21-15-10-13(8-9-14(15)19-17(21)18)16(20-22)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H2,18,19)/b20-16-
InChIKey
IWKXBHQELWQLHF-SILNSSARSA-N
Compound name
(NZ)-N-[(2-amino-3-propan-2-ylsulfonylbenzimidazol-5-yl)-phenylmethylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

69
References

2694
Patents

358.10995 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.11723 182.7
[M+Na]+ 381.09917 191.5
[M-H]- 357.10267 188.4
[M+NH4]+ 376.14377 195.3
[M+K]+ 397.07311 186.6
[M+H-H2O]+ 341.10721 174.8
[M+HCOO]- 403.10815 199.3
[M+CH3COO]- 417.12380 215.7
[M+Na-2H]- 379.08462 185.5
[M]+ 358.10940 186.4
[M]- 358.11050 186.4
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.