CID 131347969

Methyl 2-amino-6-methoxybenzo[d]thiazole-4-carboxylate

Structural Information

Molecular Formula
C10H10N2O3S
SMILES
COC1=CC(=C2C(=C1)SC(=N2)N)C(=O)OC
InChI
InChI=1S/C10H10N2O3S/c1-14-5-3-6(9(13)15-2)8-7(4-5)16-10(11)12-8/h3-4H,1-2H3,(H2,11,12)
InChIKey
NOGRCFNAGABAAM-UHFFFAOYSA-N
Compound name
methyl 2-amino-6-methoxy-1,3-benzothiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

238.04121 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.048486 148.4
[M+Na]+ 261.030428 159.7
[M-H]- 237.033934 152.7
[M+NH4]+ 256.075033 168.4
[M+K]+ 277.004368 156.9
[M+H-H2O]+ 221.038470 142.5
[M+HCOO]- 283.039411 168.5
[M+CH3COO]- 297.055061 191.1
[M+Na-2H]- 259.015876 151.2
[M]+ 238.04066142 155.0
[M]- 238.04175858 155.0
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