CID 57327010

209984-68-9

Structural Information

Molecular Formula
C23H27N3O4
SMILES
C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C3=CC=CC=C3N(C1=O)C)NC(=O)[C@H](C(C)C)O
InChI
InChI=1S/C23H27N3O4/c1-13(2)20(27)22(29)24-14(3)21(28)25-19-17-11-6-5-9-15(17)16-10-7-8-12-18(16)26(4)23(19)30/h5-14,19-20,27H,1-4H3,(H,24,29)(H,25,28)/t14-,19-,20-/m0/s1
InChIKey
JURYTIUJMYPBNN-GKCIPKSASA-N
Compound name
(2S)-2-hydroxy-3-methyl-N-[(2S)-1-[[(7S)-5-methyl-6-oxo-7H-benzo[d][1]benzazepin-7-yl]amino]-1-oxopropan-2-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

409.20016 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.20744 194.1
[M+Na]+ 432.18938 200.7
[M+NH4]+ 427.23398 197.9
[M+K]+ 448.16332 198.5
[M-H]- 408.19288 194.4
[M+Na-2H]- 430.17483 195.1
[M]+ 409.19961 194.7
[M]- 409.20071 194.7
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