CID 510181

Gbb-200061

Structural Information

Molecular Formula
C24H39N5O4S
SMILES
CC(C)(C)[C@@H](C(=O)N1CCN(CC1)CC2=NC=CS2)NC(=O)C(CC3CCCC3)CN(C=O)O
InChI
InChI=1S/C24H39N5O4S/c1-24(2,3)21(23(32)28-11-9-27(10-12-28)16-20-25-8-13-34-20)26-22(31)19(15-29(33)17-30)14-18-6-4-5-7-18/h8,13,17-19,21,33H,4-7,9-12,14-16H2,1-3H3,(H,26,31)/t19?,21-/m1/s1
InChIKey
BHDLTTMCLJUXJB-VGAJERRHSA-N
Compound name
2-(cyclopentylmethyl)-N-[(2S)-3,3-dimethyl-1-oxo-1-[4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]butan-2-yl]-3-[formyl(hydroxy)amino]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.27228 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.27956 217.8
[M+Na]+ 516.26150 214.4
[M-H]- 492.26500 221.7
[M+NH4]+ 511.30610 223.2
[M+K]+ 532.23544 213.4
[M+H-H2O]+ 476.26954 208.9
[M+HCOO]- 538.27048 223.0
[M+CH3COO]- 552.28613 240.3
[M+Na-2H]- 514.24695 209.8
[M]+ 493.27173 215.7
[M]- 493.27283 215.7
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.