CID 36921

Ticarcillin

Structural Information

Molecular Formula
C15H16N2O6S2
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CSC=C3)C(=O)O)C(=O)O)C
InChI
InChI=1S/C15H16N2O6S2/c1-15(2)9(14(22)23)17-11(19)8(12(17)25-15)16-10(18)7(13(20)21)6-3-4-24-5-6/h3-5,7-9,12H,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t7-,8-,9+,12-/m1/s1
InChIKey
OHKOGUYZJXTSFX-KZFFXBSXSA-N
Compound name
(2S,5R,6R)-6-[[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1368
References

42352
Patents

384.04498 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05226 186.7
[M+Na]+ 407.03420 185.2
[M+NH4]+ 402.07880 187.7
[M+K]+ 423.00814 184.8
[M-H]- 383.03770 181.5
[M+Na-2H]- 405.01965 183.4
[M]+ 384.04443 184.1
[M]- 384.04553 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe