CID 132355378

H3b-120

Structural Information

Molecular Formula
C19H24N4O2S
SMILES
CC1=CSC(=N1)NC(=O)C2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3
InChI
InChI=1S/C19H24N4O2S/c1-14-13-26-18(20-14)21-17(24)16-8-10-23(11-9-16)19(25)22(2)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,20,21,24)
InChIKey
ZEVOZXRSCSSPAO-UHFFFAOYSA-N
Compound name
1-N-benzyl-1-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

0
Patents

372.162 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.16928 188.4
[M+Na]+ 395.15122 191.6
[M-H]- 371.15472 196.2
[M+NH4]+ 390.19582 199.7
[M+K]+ 411.12516 188.1
[M+H-H2O]+ 355.15926 178.6
[M+HCOO]- 417.16020 202.8
[M+CH3COO]- 431.17585 220.4
[M+Na-2H]- 393.13667 185.7
[M]+ 372.16145 187.4
[M]- 372.16255 187.4
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

No patent data available for this compound.