CID 5272560

N,n-dibutyl-4-thiazol-4-yl-benzamide

Structural Information

Molecular Formula
C18H24N2OS
SMILES
CCCCN(CCCC)C(=O)C1=CC=C(C=C1)C2=CSC=N2
InChI
InChI=1S/C18H24N2OS/c1-3-5-11-20(12-6-4-2)18(21)16-9-7-15(8-10-16)17-13-22-14-19-17/h7-10,13-14H,3-6,11-12H2,1-2H3
InChIKey
KDKHEKZCTWCEPP-UHFFFAOYSA-N
Compound name
N,N-dibutyl-4-(1,3-thiazol-4-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16095 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16823 178.0
[M+Na]+ 339.15017 183.5
[M-H]- 315.15367 184.3
[M+NH4]+ 334.19477 193.8
[M+K]+ 355.12411 179.6
[M+H-H2O]+ 299.15821 169.3
[M+HCOO]- 361.15915 196.3
[M+CH3COO]- 375.17480 210.8
[M+Na-2H]- 337.13562 176.3
[M]+ 316.16040 183.1
[M]- 316.16150 183.1
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

No patent data available for this compound.