CID 3048121

D 710

Structural Information

Molecular Formula
C22H29N3O3S
SMILES
CC(C)N(CCOCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)C(C)C
InChI
InChI=1S/C22H29N3O3S/c1-16(2)24(17(3)4)12-13-27-14-15-28-22(26)25-18-8-5-6-9-19(18)29-20-10-7-11-23-21(20)25/h5-11,16-17H,12-15H2,1-4H3
InChIKey
XHCJCDDTUSQINT-UHFFFAOYSA-N
Compound name
2-[2-[di(propan-2-yl)amino]ethoxy]ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.19296 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.20024 198.9
[M+Na]+ 438.18218 202.2
[M-H]- 414.18568 201.1
[M+NH4]+ 433.22678 209.0
[M+K]+ 454.15612 199.3
[M+H-H2O]+ 398.19022 189.2
[M+HCOO]- 460.19116 208.6
[M+CH3COO]- 474.20681 231.4
[M+Na-2H]- 436.16763 199.4
[M]+ 415.19241 205.5
[M]- 415.19351 205.5
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.