CID 5272556

Schembl7467074

Structural Information

Molecular Formula
C19H26N4O2S
SMILES
CCCCN(CCCC)C(=O)C(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N
InChI
InChI=1S/C19H26N4O2S/c1-3-5-11-23(12-6-4-2)18(25)17(24)21-15-9-7-14(8-10-15)16-13-26-19(20)22-16/h7-10,13H,3-6,11-12H2,1-2H3,(H2,20,22)(H,21,24)
InChIKey
BZZQNBMVBLZTCH-UHFFFAOYSA-N
Compound name
N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]-N',N'-dibutyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

374.17764 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.18492 192.1
[M+Na]+ 397.16686 195.8
[M-H]- 373.17036 197.9
[M+NH4]+ 392.21146 204.5
[M+K]+ 413.14080 192.0
[M+H-H2O]+ 357.17490 182.6
[M+HCOO]- 419.17584 210.7
[M+CH3COO]- 433.19149 225.3
[M+Na-2H]- 395.15231 189.1
[M]+ 374.17709 195.3
[M]- 374.17819 195.3
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