CID 10435235

209984-57-6

Structural Information

Molecular Formula
C26H23F2N3O4
SMILES
C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)NC(=O)[C@H](C4=CC(=CC(=C4)F)F)O
InChI
InChI=1S/C26H23F2N3O4/c1-14(29-25(34)23(32)15-11-16(27)13-17(28)12-15)24(33)30-22-20-9-4-3-7-18(20)19-8-5-6-10-21(19)31(2)26(22)35/h3-14,22-23,32H,1-2H3,(H,29,34)(H,30,33)/t14-,22-,23-/m0/s1
InChIKey
ULSSJYNJIZWPSB-CVRXJBIPSA-N
Compound name
(2S)-2-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-N-[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

133
References

248
Patents

479.16565 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.17293 205.1
[M+Na]+ 502.15487 212.5
[M+NH4]+ 497.19947 207.9
[M+K]+ 518.12881 209.1
[M-H]- 478.15837 205.3
[M+Na-2H]- 500.14032 207.3
[M]+ 479.16510 205.7
[M]- 479.16620 205.7
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