CID 5277389

Ethyl n-[5-amino-3-[(n-methylanilino)methyl]-2h-pyrido[4,3-b][1,4]thiazin-7-yl]carbamate

Structural Information

Molecular Formula
C18H21N5O2S
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)SCC(=N2)CN(C)C3=CC=CC=C3)N
InChI
InChI=1S/C18H21N5O2S/c1-3-25-18(24)22-15-9-14-16(17(19)21-15)20-12(11-26-14)10-23(2)13-7-5-4-6-8-13/h4-9H,3,10-11H2,1-2H3,(H3,19,21,22,24)
InChIKey
NUAZKOIOPYSPKN-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-[(N-methylanilino)methyl]-2H-pyrido[4,3-b][1,4]thiazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.1416 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.14888 184.1
[M+Na]+ 394.13082 189.5
[M-H]- 370.13432 189.3
[M+NH4]+ 389.17542 194.4
[M+K]+ 410.10476 185.1
[M+H-H2O]+ 354.13886 174.0
[M+HCOO]- 416.13980 200.1
[M+CH3COO]- 430.15545 225.2
[M+Na-2H]- 392.11627 187.6
[M]+ 371.14105 185.9
[M]- 371.14215 185.9
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.