CID 3048123

D 249

Structural Information

Molecular Formula
C20H25N3O2S
SMILES
CC(C)N(CCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)C(C)C
InChI
InChI=1S/C20H25N3O2S/c1-14(2)22(15(3)4)12-13-25-20(24)23-16-8-5-6-9-17(16)26-18-10-7-11-21-19(18)23/h5-11,14-15H,12-13H2,1-4H3
InChIKey
KCVHZIBCEDFOBA-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yl)amino]ethyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.16675 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17403 187.2
[M+Na]+ 394.15597 191.7
[M-H]- 370.15947 189.8
[M+NH4]+ 389.20057 199.3
[M+K]+ 410.12991 188.5
[M+H-H2O]+ 354.16401 178.0
[M+HCOO]- 416.16495 197.4
[M+CH3COO]- 430.18060 223.6
[M+Na-2H]- 392.14142 188.4
[M]+ 371.16620 191.8
[M]- 371.16730 191.8
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.