CID 3048127

D 262

Structural Information

Molecular Formula
C21H27N3O2S
SMILES
CC(C)N(CC(C)OC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)C(C)C
InChI
InChI=1S/C21H27N3O2S/c1-14(2)23(15(3)4)13-16(5)26-21(25)24-17-9-6-7-10-18(17)27-19-11-8-12-22-20(19)24/h6-12,14-16H,13H2,1-5H3
InChIKey
YTSYAIJLUKZVRJ-UHFFFAOYSA-N
Compound name
1-[di(propan-2-yl)amino]propan-2-yl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1824 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18968 191.0
[M+Na]+ 408.17162 194.8
[M-H]- 384.17512 193.6
[M+NH4]+ 403.21622 202.5
[M+K]+ 424.14556 192.0
[M+H-H2O]+ 368.17966 182.0
[M+HCOO]- 430.18060 199.9
[M+CH3COO]- 444.19625 227.4
[M+Na-2H]- 406.15707 190.9
[M]+ 385.18185 195.5
[M]- 385.18295 195.5
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.