CID 508834

Benzamide, n-[2-[[(3r)-1-[(5-methyl-2-furanyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C20H22F3N3O3
SMILES
CC1=CC=C(O1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C20H22F3N3O3/c1-13-5-6-17(29-13)12-26-8-7-16(11-26)25-18(27)10-24-19(28)14-3-2-4-15(9-14)20(21,22)23/h2-6,9,16H,7-8,10-12H2,1H3,(H,24,28)(H,25,27)/t16-/m1/s1
InChIKey
QYCCRJWFASLQIQ-MRXNPFEDSA-N
Compound name
N-[2-[[(3R)-1-[(5-methylfuran-2-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.16132 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.16860 193.9
[M+Na]+ 432.15054 198.1
[M-H]- 408.15404 199.2
[M+NH4]+ 427.19514 204.3
[M+K]+ 448.12448 194.9
[M+H-H2O]+ 392.15858 183.2
[M+HCOO]- 454.15952 210.4
[M+CH3COO]- 468.17517 225.5
[M+Na-2H]- 430.13599 191.2
[M]+ 409.16077 190.0
[M]- 409.16187 190.0
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.