CID 482919

2-(6-aminohexanoylamino)-n-[3-(dimethylamino)propyl]thiazole-4-carboxamide

Structural Information

Molecular Formula
C15H27N5O2S
SMILES
CN(C)CCCNC(=O)C1=CSC(=N1)NC(=O)CCCCCN
InChI
InChI=1S/C15H27N5O2S/c1-20(2)10-6-9-17-14(22)12-11-23-15(18-12)19-13(21)7-4-3-5-8-16/h11H,3-10,16H2,1-2H3,(H,17,22)(H,18,19,21)
InChIKey
FFZWRLIWJPRVFG-UHFFFAOYSA-N
Compound name
2-(6-aminohexanoylamino)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.18854 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.19582 182.4
[M+Na]+ 364.17776 184.4
[M-H]- 340.18126 184.6
[M+NH4]+ 359.22236 195.7
[M+K]+ 380.15170 182.1
[M+H-H2O]+ 324.18580 172.8
[M+HCOO]- 386.18674 201.4
[M+CH3COO]- 400.20239 222.4
[M+Na-2H]- 362.16321 180.0
[M]+ 341.18799 185.2
[M]- 341.18909 185.2
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.