CID 337144

72083-45-5

Structural Information

Molecular Formula
C16H15N3O3S
SMILES
CCOC(=O)C1=CC2=C(N1C)SC(=N2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H15N3O3S/c1-3-22-15(21)12-9-11-14(19(12)2)23-16(17-11)18-13(20)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H,17,18,20)
InChIKey
QZVGBIQXJGHIEN-UHFFFAOYSA-N
Compound name
ethyl 2-benzamido-4-methylpyrrolo[3,2-d][1,3]thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.090676 176.0
[M+Na]+ 352.072618 186.0
[M-H]- 328.076124 182.9
[M+NH4]+ 347.117223 192.6
[M+K]+ 368.046558 182.2
[M+H-H2O]+ 312.080660 169.0
[M+HCOO]- 374.081601 195.1
[M+CH3COO]- 388.097251 207.6
[M+Na-2H]- 350.058066 175.5
[M]+ 329.08285142 183.4
[M]- 329.08394858 183.4
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

No patent data available for this compound.