CID 5278608

Cyclopentane amide deriv. 16a

Structural Information

Molecular Formula
C14H23N5O4
SMILES
CC(=O)NC([C@H]1CC(C[C@@H]1N=C(N)N)C(=O)O)C(=O)N2CCC2
InChI
InChI=1S/C14H23N5O4/c1-7(20)17-11(12(21)19-3-2-4-19)9-5-8(13(22)23)6-10(9)18-14(15)16/h8-11H,2-6H2,1H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8?,9-,10-,11?/m0/s1
InChIKey
OZXOXSKHHIGIKG-SEQHWMEXSA-N
Compound name
(3R,4S)-3-[1-acetamido-2-(azetidin-1-yl)-2-oxoethyl]-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.17502 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.18230 186.2
[M+Na]+ 348.16424 183.3
[M-H]- 324.16774 189.0
[M+NH4]+ 343.20884 190.8
[M+K]+ 364.13818 187.2
[M+H-H2O]+ 308.17228 170.4
[M+HCOO]- 370.17322 202.0
[M+CH3COO]- 384.18887 220.3
[M+Na-2H]- 346.14969 178.4
[M]+ 325.17447 186.5
[M]- 325.17557 186.5
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

No patent data available for this compound.