CID 211220

N-propoxy-benzylpenicillinamide

Structural Information

Molecular Formula
C19H25N3O4S
SMILES
CCCOC1(C(SC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)(C)C)C(=O)N
InChI
InChI=1S/C19H25N3O4S/c1-4-10-26-19(17(20)25)18(2,3)27-16-14(15(24)22(16)19)21-13(23)11-12-8-6-5-7-9-12/h5-9,14,16H,4,10-11H2,1-3H3,(H2,20,25)(H,21,23)
InChIKey
QVSVMVFOYYQALW-UHFFFAOYSA-N
Compound name
3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-2-propoxy-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.1566 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16388 193.6
[M+Na]+ 414.14582 195.2
[M+NH4]+ 409.19042 197.1
[M+K]+ 430.11976 189.5
[M-H]- 390.14932 191.5
[M+Na-2H]- 412.13127 194.7
[M]+ 391.15605 192.2
[M]- 391.15715 192.2
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.