CID 132519

Ilomastat

Structural Information

Molecular Formula
C20H28N4O4
SMILES
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC
InChI
InChI=1S/C20H28N4O4/c1-12(2)8-13(10-18(25)24-28)19(26)23-17(20(27)21-3)9-14-11-22-16-7-5-4-6-15(14)16/h4-7,11-13,17,22,28H,8-10H2,1-3H3,(H,21,27)(H,23,26)(H,24,25)/t13-,17+/m1/s1
InChIKey
NITYDPDXAAFEIT-DYVFJYSZSA-N
Compound name
(2R)-N'-hydroxy-N-[(2S)-3-(1H-indol-3-yl)-1-(methylamino)-1-oxopropan-2-yl]-2-(2-methylpropyl)butanediamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

78
References

15609
Patents

388.21106 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.21834 193.4
[M+Na]+ 411.20028 197.0
[M+NH4]+ 406.24488 195.7
[M+K]+ 427.17422 197.3
[M-H]- 387.20378 191.6
[M+Na-2H]- 409.18573 192.9
[M]+ 388.21051 192.4
[M]- 388.21161 192.4
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