CID 57387787

Tert-butyl 2-amino-3-(benzo[d]thiazol-2-yl)-4,5-dihydrothieno[2,3-c]pyridine-6(7h)-carboxylate

Structural Information

Molecular Formula
C19H21N3O2S2
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)SC(=C2C3=NC4=CC=CC=C4S3)N
InChI
InChI=1S/C19H21N3O2S2/c1-19(2,3)24-18(23)22-9-8-11-14(10-22)25-16(20)15(11)17-21-12-6-4-5-7-13(12)26-17/h4-7H,8-10,20H2,1-3H3
InChIKey
KOGCTMXDSRRSMS-UHFFFAOYSA-N
Compound name
tert-butyl 2-amino-3-(1,3-benzothiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

387.1075 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.11478 191.2
[M+Na]+ 410.09672 201.2
[M-H]- 386.10022 197.4
[M+NH4]+ 405.14132 207.1
[M+K]+ 426.07066 195.9
[M+H-H2O]+ 370.10476 186.4
[M+HCOO]- 432.10570 199.9
[M+CH3COO]- 446.12135 201.2
[M+Na-2H]- 408.08217 190.3
[M]+ 387.10695 196.2
[M]- 387.10805 196.2
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