CID 6483576

Chembl219511

Structural Information

Molecular Formula
C17H20N4O5S
SMILES
C[C@@]1(CN2C=C(N=C2O1)[N+](=O)[O-])COC3=CC=C(C=C3)N4CCS(=O)CC4
InChI
InChI=1S/C17H20N4O5S/c1-17(11-20-10-15(21(22)23)18-16(20)26-17)12-25-14-4-2-13(3-5-14)19-6-8-27(24)9-7-19/h2-5,10H,6-9,11-12H2,1H3/t17-/m1/s1
InChIKey
VKZSAWATCYUSJG-QGZVFWFLSA-N
Compound name
4-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]-1,4-thiazinane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

392.11545 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.12273 186.8
[M+Na]+ 415.10467 192.7
[M-H]- 391.10817 194.6
[M+NH4]+ 410.14927 198.4
[M+K]+ 431.07861 186.3
[M+H-H2O]+ 375.11271 183.2
[M+HCOO]- 437.11365 199.4
[M+CH3COO]- 451.12930 209.2
[M+Na-2H]- 413.09012 189.2
[M]+ 392.11490 187.0
[M]- 392.11600 187.0
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