CID 3057679

Thiazolo(5,4-c)isoquinoline, 5-butoxy-2-methyl-

Structural Information

Molecular Formula
C15H16N2OS
SMILES
CCCCOC1=NC2=C(C3=CC=CC=C31)N=C(S2)C
InChI
InChI=1S/C15H16N2OS/c1-3-4-9-18-14-12-8-6-5-7-11(12)13-15(17-14)19-10(2)16-13/h5-8H,3-4,9H2,1-2H3
InChIKey
ZNSYXEKTZMCOEU-UHFFFAOYSA-N
Compound name
5-butoxy-2-methyl-[1,3]thiazolo[5,4-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

272.09833 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.105606 160.4
[M+Na]+ 295.087548 172.5
[M-H]- 271.091054 164.3
[M+NH4]+ 290.132153 179.6
[M+K]+ 311.061488 167.2
[M+H-H2O]+ 255.095590 153.5
[M+HCOO]- 317.096531 177.7
[M+CH3COO]- 331.112181 173.4
[M+Na-2H]- 293.072996 164.8
[M]+ 272.09778142 168.4
[M]- 272.09887858 168.4
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