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

143
Patents

349.99658 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.00386 174.9
[M+Na]+ 372.98580 186.0
[M-H]- 348.98930 181.3
[M+NH4]+ 368.03040 191.0
[M+K]+ 388.95974 179.9
[M+H-H2O]+ 332.99384 169.4
[M+HCOO]- 394.99478 185.4
[M+CH3COO]- 409.01043 185.9
[M+Na-2H]- 370.97125 175.4
[M]+ 349.99603 180.5
[M]- 349.99713 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