CID 3048141

63885-82-5

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CN1CCN(CC1)CCCOC(=O)N2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C20H24N4O2S/c1-22-11-13-23(14-12-22)10-5-15-26-20(25)24-16-6-2-3-7-17(16)27-18-8-4-9-21-19(18)24/h2-4,6-9H,5,10-15H2,1H3
InChIKey
PFYTUXBMXIBUQI-UHFFFAOYSA-N
Compound name
3-(4-methylpiperazin-1-yl)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.162 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 190.4
[M+Na]+ 407.15122 195.8
[M-H]- 383.15472 191.5
[M+NH4]+ 402.19582 198.6
[M+K]+ 423.12516 189.5
[M+H-H2O]+ 367.15926 179.2
[M+HCOO]- 429.16020 195.8
[M+CH3COO]- 443.17585 197.0
[M+Na-2H]- 405.13667 192.2
[M]+ 384.16145 189.9
[M]- 384.16255 189.9
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.