CID 3066094

109493-46-1

Structural Information

Molecular Formula
C17H12ClN3O4S
SMILES
CC1=CC(=C2C(=N1)SC(=N)N(C2=O)C(=O)C3=CC=C(C=C3)Cl)C(=O)OC
InChI
InChI=1S/C17H12ClN3O4S/c1-8-7-11(16(24)25-2)12-13(20-8)26-17(19)21(15(12)23)14(22)9-3-5-10(18)6-4-9/h3-7,19H,1-2H3
InChIKey
CENCMSMKLRVTKU-UHFFFAOYSA-N
Compound name
methyl 3-(4-chlorobenzoyl)-2-imino-7-methyl-4-oxopyrido[3,2-e][1,3]thiazine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.0237 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.03098 183.5
[M+Na]+ 412.01292 195.1
[M-H]- 388.01642 189.8
[M+NH4]+ 407.05752 194.8
[M+K]+ 427.98686 188.8
[M+H-H2O]+ 372.02096 175.7
[M+HCOO]- 434.02190 194.7
[M+CH3COO]- 448.03755 219.6
[M+Na-2H]- 409.99837 185.1
[M]+ 389.02315 191.1
[M]- 389.02425 191.1
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.