CID 9927392

Schembl6999604

Structural Information

Molecular Formula
C17H17N3O2S
SMILES
CC(C)OC1=CC=CC=C1CNC(=O)C2=NC3=C(S2)C=NC=C3
InChI
InChI=1S/C17H17N3O2S/c1-11(2)22-14-6-4-3-5-12(14)9-19-16(21)17-20-13-7-8-18-10-15(13)23-17/h3-8,10-11H,9H2,1-2H3,(H,19,21)
InChIKey
NFXSPBPFPVRNPV-UHFFFAOYSA-N
Compound name
N-[(2-propan-2-yloxyphenyl)methyl]-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

327.10416 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11144 174.7
[M+Na]+ 350.09338 183.4
[M-H]- 326.09688 180.5
[M+NH4]+ 345.13798 189.2
[M+K]+ 366.06732 178.6
[M+H-H2O]+ 310.10142 166.3
[M+HCOO]- 372.10236 192.2
[M+CH3COO]- 386.11801 185.8
[M+Na-2H]- 348.07883 177.1
[M]+ 327.10361 180.3
[M]- 327.10471 180.3
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