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
1
Annotation Hits

69
References

2785
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

literature stripe

Patent stripe

patents stripe