CID 66610682

Privosegtor

Structural Information

Molecular Formula
C25H38FN5O4
SMILES
CC(C)CN(CC(=O)N(CCCN1CCCC1=O)CC(=O)N)C(=O)CNCCC2=CC=CC=C2F
InChI
InChI=1S/C25H38FN5O4/c1-19(2)16-31(24(34)15-28-11-10-20-7-3-4-8-21(20)26)18-25(35)30(17-22(27)32)14-6-13-29-12-5-9-23(29)33/h3-4,7-8,19,28H,5-6,9-18H2,1-2H3,(H2,27,32)
InChIKey
ODCKWAPNRBCXHV-UHFFFAOYSA-N
Compound name
N-[2-[(2-amino-2-oxoethyl)-[3-(2-oxopyrrolidin-1-yl)propyl]amino]-2-oxoethyl]-2-[2-(2-fluorophenyl)ethylamino]-N-(2-methylpropyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

24
Patents

491.29077 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.29805 221.8
[M+Na]+ 514.27999 219.5
[M-H]- 490.28349 226.0
[M+NH4]+ 509.32459 228.1
[M+K]+ 530.25393 218.7
[M+H-H2O]+ 474.28803 210.1
[M+HCOO]- 536.28897 240.0
[M+CH3COO]- 550.30462 256.5
[M+Na-2H]- 512.26544 213.8
[M]+ 491.29022 221.7
[M]- 491.29132 221.7
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.