CID 461167

Dimethyl 3-(4-methoxyphenyl)-5-methyl-1,3-dihydropyrrolo[1,2-c]thiazole-6,7-dicarboxylate

Structural Information

Molecular Formula
C18H19NO5S
SMILES
CC1=C(C(=C2N1C(SC2)C3=CC=C(C=C3)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C18H19NO5S/c1-10-14(17(20)23-3)15(18(21)24-4)13-9-25-16(19(10)13)11-5-7-12(22-2)8-6-11/h5-8,16H,9H2,1-4H3
InChIKey
YAKTUYNLJQQAGT-UHFFFAOYSA-N
Compound name
dimethyl 3-(4-methoxyphenyl)-5-methyl-1,3-dihydropyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.0984 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10568 184.7
[M+Na]+ 384.08762 193.8
[M-H]- 360.09112 192.4
[M+NH4]+ 379.13222 201.9
[M+K]+ 400.06156 191.5
[M+H-H2O]+ 344.09566 179.2
[M+HCOO]- 406.09660 200.8
[M+CH3COO]- 420.11225 213.2
[M+Na-2H]- 382.07307 180.2
[M]+ 361.09785 193.9
[M]- 361.09895 193.9
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

No patent data available for this compound.