CID 444224

1-ethoxycarbonyl-d-phe-pro-2(4-aminobutyl)hydrazine

Structural Information

Molecular Formula
C21H33N5O4
SMILES
CCOC(=O)N[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)NNCCCCN
InChI
InChI=1S/C21H33N5O4/c1-2-30-21(29)24-17(15-16-9-4-3-5-10-16)20(28)26-14-8-11-18(26)19(27)25-23-13-7-6-12-22/h3-5,9-10,17-18,23H,2,6-8,11-15,22H2,1H3,(H,24,29)(H,25,27)/t17-,18+/m1/s1
InChIKey
AEHSFPPTWRQOFS-MSOLQXFVSA-N
Compound name
ethyl N-[(2R)-1-[(2S)-2-[(4-aminobutylamino)carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

419.25327 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.26055 200.8
[M+Na]+ 442.24249 198.7
[M-H]- 418.24599 203.9
[M+NH4]+ 437.28709 208.8
[M+K]+ 458.21643 197.1
[M+H-H2O]+ 402.25053 190.3
[M+HCOO]- 464.25147 220.3
[M+CH3COO]- 478.26712 234.4
[M+Na-2H]- 440.22794 197.4
[M]+ 419.25272 198.0
[M]- 419.25382 198.0
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.