CID 9588604

Dimethyl (z,z)-2,2'-(carboxyldiimino)bis(alpha-(methoxyimino)-4-thiazoleacetate)

Structural Information

Molecular Formula
C15H16N6O7S2
SMILES
COC(=O)/C(=N\OC)/C1=CSC(=N1)NC(=O)NC2=NC(=CS2)/C(=N/OC)/C(=O)OC
InChI
InChI=1S/C15H16N6O7S2/c1-25-11(22)9(20-27-3)7-5-29-14(16-7)18-13(24)19-15-17-8(6-30-15)10(21-28-4)12(23)26-2/h5-6H,1-4H3,(H2,16,17,18,19,24)/b20-9-,21-10-
InChIKey
ODMJIQJYAXNIBW-UPVMUGGESA-N
Compound name
methyl (2Z)-2-methoxyimino-2-[2-[[4-[(Z)-N-methoxy-C-methoxycarbonylcarbonimidoyl]-1,3-thiazol-2-yl]carbamoylamino]-1,3-thiazol-4-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.0522 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.05948 199.8
[M+Na]+ 479.04142 202.0
[M+NH4]+ 474.08602 201.0
[M+K]+ 495.01536 202.2
[M-H]- 455.04492 199.1
[M+Na-2H]- 477.02687 201.5
[M]+ 456.05165 199.7
[M]- 456.05275 199.7
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

No patent data available for this compound.