CID 170341

Antazonite

Structural Information

Molecular Formula
C11H12N2O2S2
SMILES
CC(=O)N=C1N(C=CS1)CC(C2=CC=CS2)O
InChI
InChI=1S/C11H12N2O2S2/c1-8(14)12-11-13(4-6-17-11)7-9(15)10-3-2-5-16-10/h2-6,9,15H,7H2,1H3
InChIKey
TWOQVRDPCSGVLB-UHFFFAOYSA-N
Compound name
N-[3-(2-hydroxy-2-thiophen-2-ylethyl)-1,3-thiazol-2-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

268.03403 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.04131 160.0
[M+Na]+ 291.02325 169.9
[M-H]- 267.02675 166.8
[M+NH4]+ 286.06785 179.5
[M+K]+ 306.99719 165.9
[M+H-H2O]+ 251.03129 153.9
[M+HCOO]- 313.03223 176.2
[M+CH3COO]- 327.04788 192.8
[M+Na-2H]- 289.00870 158.1
[M]+ 268.03348 164.9
[M]- 268.03458 164.9
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

patents stripe