CID 13421809

96680-30-7

Structural Information

Molecular Formula
C22H27N5O10S2
SMILES
CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=N\OC)/C3=CSC(=N3)NC=O)COC
InChI
InChI=1S/C22H27N5O10S2/c1-10(2)35-22(32)37-11(3)36-20(31)16-12(6-33-4)7-38-19-15(18(30)27(16)19)25-17(29)14(26-34-5)13-8-39-21(24-13)23-9-28/h8-11,15,19H,6-7H2,1-5H3,(H,25,29)(H,23,24,28)/b26-14-/t11?,15-,19-/m1/s1
InChIKey
KBBPBOYVHDSXFI-KMMUMHRISA-N
Compound name
1-propan-2-yloxycarbonyloxyethyl (6R,7R)-7-[[(2Z)-2-(2-formamido-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

585.11993 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.12721 233.9
[M+Na]+ 608.10915 229.5
[M+NH4]+ 603.15375 228.9
[M+K]+ 624.08309 230.9
[M-H]- 584.11265 227.8
[M+Na-2H]- 606.09460 228.0
[M]+ 585.11938 230.0
[M]- 585.12048 230.0
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