CID 66610682

Bn201

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

18
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 218.0
[M+Na]+ 514.27999 218.8
[M+NH4]+ 509.32459 218.8
[M+K]+ 530.25393 218.4
[M-H]- 490.28349 217.3
[M+Na-2H]- 512.26544 217.3
[M]+ 491.29022 216.7
[M]- 491.29132 216.7
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

patents stripe