CID 508918

Benzamide, n-[2-[[(3r)-1-[(1-acetyl-1h-indol-3-yl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-2-amino-5-(trifluoromethyl)-

Structural Information

Molecular Formula
C25H26F3N5O3
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)CN3CC[C@H](C3)NC(=O)CNC(=O)C4=C(C=CC(=C4)C(F)(F)F)N
InChI
InChI=1S/C25H26F3N5O3/c1-15(34)33-13-16(19-4-2-3-5-22(19)33)12-32-9-8-18(14-32)31-23(35)11-30-24(36)20-10-17(25(26,27)28)6-7-21(20)29/h2-7,10,13,18H,8-9,11-12,14,29H2,1H3,(H,30,36)(H,31,35)/t18-/m1/s1
InChIKey
TVTPQSNBPCEJIJ-GOSISDBHSA-N
Compound name
N-[2-[[(3R)-1-[(1-acetylindol-3-yl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-2-amino-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.19876 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.20604 215.4
[M+Na]+ 524.18798 220.0
[M-H]- 500.19148 220.1
[M+NH4]+ 519.23258 222.7
[M+K]+ 540.16192 214.6
[M+H-H2O]+ 484.19602 203.8
[M+HCOO]- 546.19696 230.4
[M+CH3COO]- 560.21261 247.0
[M+Na-2H]- 522.17343 211.4
[M]+ 501.19821 211.5
[M]- 501.19931 211.5
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.