CID 3060278

Brn 5644934

Structural Information

Molecular Formula
C20H26N4O2S
SMILES
CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)NC3=NC=CS3
InChI
InChI=1S/C20H26N4O2S/c1-2-3-4-5-11-23-12-13-24(19(26)18(23)25)15-16-6-8-17(9-7-16)22-20-21-10-14-27-20/h6-10,14H,2-5,11-13,15H2,1H3,(H,21,22)
InChIKey
JIHFRULTXJLIKT-UHFFFAOYSA-N
Compound name
1-hexyl-4-[[4-(1,3-thiazol-2-ylamino)phenyl]methyl]piperazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

386.17764 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.18492 192.9
[M+Na]+ 409.16686 198.6
[M-H]- 385.17036 198.0
[M+NH4]+ 404.21146 202.4
[M+K]+ 425.14080 192.0
[M+H-H2O]+ 369.17490 182.5
[M+HCOO]- 431.17584 206.1
[M+CH3COO]- 445.19149 220.4
[M+Na-2H]- 407.15231 189.8
[M]+ 386.17709 194.1
[M]- 386.17819 194.1
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

patents stripe