CID 3302615

862827-59-6

Structural Information

Molecular Formula
C18H26N2O2S
SMILES
CCCCN(CCCC)C(=O)CCN1C2=CC=CC=C2SC1=O
InChI
InChI=1S/C18H26N2O2S/c1-3-5-12-19(13-6-4-2)17(21)11-14-20-15-9-7-8-10-16(15)23-18(20)22/h7-10H,3-6,11-14H2,1-2H3
InChIKey
NDUYWBLQCSSRHK-UHFFFAOYSA-N
Compound name
N,N-dibutyl-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1715 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17878 181.5
[M+Na]+ 357.16072 188.8
[M-H]- 333.16422 185.9
[M+NH4]+ 352.20532 198.1
[M+K]+ 373.13466 184.8
[M+H-H2O]+ 317.16876 173.7
[M+HCOO]- 379.16970 199.9
[M+CH3COO]- 393.18535 214.8
[M+Na-2H]- 355.14617 181.0
[M]+ 334.17095 190.5
[M]- 334.17205 190.5
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.