CID 15956580

(3s,4r)-3-[1-acetamido-2-(diethylamino)-2-oxo-ethyl]-4-guanidino-pyrrolidine-1-carboxylic acid

Structural Information

Molecular Formula
C14H26N6O4
SMILES
CCN(CC)C(=O)C([C@H]1CN(C[C@@H]1N=C(N)N)C(=O)O)NC(=O)C
InChI
InChI=1S/C14H26N6O4/c1-4-19(5-2)12(22)11(17-8(3)21)9-6-20(14(23)24)7-10(9)18-13(15)16/h9-11H,4-7H2,1-3H3,(H,17,21)(H,23,24)(H4,15,16,18)/t9-,10-,11?/m0/s1
InChIKey
ROOQBPVYERDMCP-QRHSGQBVSA-N
Compound name
(3R,4R)-3-[1-acetamido-2-(diethylamino)-2-oxoethyl]-4-(diaminomethylideneamino)pyrrolidine-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

342.20154 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.20882 182.0
[M+Na]+ 365.19076 182.3
[M-H]- 341.19426 184.1
[M+NH4]+ 360.23536 193.9
[M+K]+ 381.16470 184.1
[M+H-H2O]+ 325.19880 173.2
[M+HCOO]- 387.19974 202.4
[M+CH3COO]- 401.21539 227.7
[M+Na-2H]- 363.17621 176.1
[M]+ 342.20099 177.6
[M]- 342.20209 177.6
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.