CID 3048140

D 736

Structural Information

Molecular Formula
C19H22N4O2S
SMILES
CN1CCN(CC1)CCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H22N4O2S/c1-21-9-11-22(12-10-21)13-14-25-19(24)23-15-5-2-3-6-16(15)26-17-7-4-8-20-18(17)23/h2-8H,9-14H2,1H3
InChIKey
ZJNBANKXMYMNPM-UHFFFAOYSA-N
Compound name
2-(4-methylpiperazin-1-yl)ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14636 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15364 185.9
[M+Na]+ 393.13558 199.6
[M+NH4]+ 388.18018 193.4
[M+K]+ 409.10952 189.8
[M-H]- 369.13908 189.0
[M+Na-2H]- 391.12103 191.3
[M]+ 370.14581 189.1
[M]- 370.14691 189.1
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.