CID 134203923

Pk68

Structural Information

Molecular Formula
C22H24N4O3S
SMILES
CC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(S3)NC(=O)C)NC(=O)OC4CCCCC4
InChI
InChI=1S/C22H24N4O3S/c1-13-19(26-22(28)29-17-6-4-3-5-7-17)10-16(12-23-13)15-8-9-18-20(11-15)30-21(25-18)24-14(2)27/h8-12,17H,3-7H2,1-2H3,(H,26,28)(H,24,25,27)
InChIKey
DRCNWQYEKZTTEW-UHFFFAOYSA-N
Compound name
cyclohexyl N-[5-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylpyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

424.15692 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.16420 197.8
[M+Na]+ 447.14614 208.9
[M+NH4]+ 442.19074 204.2
[M+K]+ 463.12008 202.5
[M-H]- 423.14964 203.1
[M+Na-2H]- 445.13159 204.6
[M]+ 424.15637 201.1
[M]- 424.15747 201.1
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

patents stripe