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 186.3
[M+Na]+ 393.13558 192.2
[M-H]- 369.13908 187.7
[M+NH4]+ 388.18018 195.1
[M+K]+ 409.10952 186.1
[M+H-H2O]+ 353.14362 175.3
[M+HCOO]- 415.14456 192.1
[M+CH3COO]- 429.16021 193.3
[M+Na-2H]- 391.12103 188.6
[M]+ 370.14581 185.5
[M]- 370.14691 185.5
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.