CID 165361558

Adb-fubiata

Structural Information

Molecular Formula
C23H26FN3O2
SMILES
CC(C)(C)[C@@H](C(=O)N)NC(=O)CC1=CN(C2=CC=CC=C21)CC3=CC=C(C=C3)F
InChI
InChI=1S/C23H26FN3O2/c1-23(2,3)21(22(25)29)26-20(28)12-16-14-27(19-7-5-4-6-18(16)19)13-15-8-10-17(24)11-9-15/h4-11,14,21H,12-13H2,1-3H3,(H2,25,29)(H,26,28)/t21-/m1/s1
InChIKey
KHAUCCNSUMBFOT-OAQYLSRUSA-N
Compound name
(2S)-2-[[2-[1-[(4-fluorophenyl)methyl]indol-3-yl]acetyl]amino]-3,3-dimethylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.2009 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.208176 197.5
[M+Na]+ 418.190118 203.2
[M-H]- 394.193624 202.3
[M+NH4]+ 413.234723 209.3
[M+K]+ 434.164058 198.2
[M+H-H2O]+ 378.198160 188.1
[M+HCOO]- 440.199101 215.9
[M+CH3COO]- 454.214751 228.5
[M+Na-2H]- 416.175566 197.2
[M]+ 395.20035142 197.9
[M]- 395.20144858 197.9
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.