CID 3048179

D 246

Structural Information

Molecular Formula
C19H23N5OS
SMILES
CCN(C(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)N4CCN(CC4)C
InChI
InChI=1S/C19H23N5OS/c1-3-23(22-13-11-21(2)12-14-22)19(25)24-15-7-4-5-8-16(15)26-17-9-6-10-20-18(17)24/h4-10H,3,11-14H2,1-2H3
InChIKey
WUNSFQABDVOGOQ-UHFFFAOYSA-N
Compound name
N-ethyl-N-(4-methylpiperazin-1-yl)pyrido[3,2-b][1,4]benzothiazine-10-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.16232 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.169596 185.5
[M+Na]+ 392.151538 190.9
[M-H]- 368.155044 188.2
[M+NH4]+ 387.196143 194.7
[M+K]+ 408.125478 185.4
[M+H-H2O]+ 352.159580 174.4
[M+HCOO]- 414.160521 192.6
[M+CH3COO]- 428.176171 192.8
[M+Na-2H]- 390.136986 188.1
[M]+ 369.16177142 184.1
[M]- 369.16286858 184.1
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.