CID 19783135

Maem

Structural Information

Molecular Formula
C13H10N4O2S3
SMILES
CO/N=C(\C1=CSC(=N1)N)/C(=S)OC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C13H10N4O2S3/c1-18-17-10(8-6-21-12(14)15-8)11(20)19-13-16-7-4-2-3-5-9(7)22-13/h2-6H,1H3,(H2,14,15)/b17-10+
InChIKey
WRTVTCFELAEIEQ-LICLKQGHSA-N
Compound name
O-(1,3-benzothiazol-2-yl) (2E)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

256
Patents

349.99658 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.003856 174.9
[M+Na]+ 372.985798 186.0
[M-H]- 348.989304 181.3
[M+NH4]+ 368.030403 191.0
[M+K]+ 388.959738 179.9
[M+H-H2O]+ 332.993840 169.4
[M+HCOO]- 394.994781 185.4
[M+CH3COO]- 409.010431 185.9
[M+Na-2H]- 370.971246 175.4
[M]+ 349.99603142 180.5
[M]- 349.99712858 180.5
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