CID 444238

2-[n'-(4-amino-butyl)-hydrazinocarbonyl]-pyrrolidine-1-carboxylic acid benzyl ester

Structural Information

Molecular Formula
C17H26N4O3
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NNCCCCN
InChI
InChI=1S/C17H26N4O3/c18-10-4-5-11-19-20-16(22)15-9-6-12-21(15)17(23)24-13-14-7-2-1-3-8-14/h1-3,7-8,15,19H,4-6,9-13,18H2,(H,20,22)/t15-/m0/s1
InChIKey
MOCIXHUQBOUBAK-HNNXBMFYSA-N
Compound name
benzyl (2S)-2-[(4-aminobutylamino)carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.2005 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.207776 178.9
[M+Na]+ 357.189718 180.0
[M-H]- 333.193224 182.5
[M+NH4]+ 352.234323 191.1
[M+K]+ 373.163658 177.4
[M+H-H2O]+ 317.197760 169.2
[M+HCOO]- 379.198701 200.4
[M+CH3COO]- 393.214351 214.4
[M+Na-2H]- 355.175166 178.8
[M]+ 334.19995142 176.0
[M]- 334.20104858 176.0
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.