CID 3048135

D 256

Structural Information

Molecular Formula
C20H25N3O2S
SMILES
CCCN(CCC)CCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C20H25N3O2S/c1-3-12-22(13-4-2)14-15-25-20(24)23-16-8-5-6-9-17(16)26-18-10-7-11-21-19(18)23/h5-11H,3-4,12-15H2,1-2H3
InChIKey
NWLTUWVDTYSPKE-UHFFFAOYSA-N
Compound name
2-(dipropylamino)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

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.17403 187.3
[M+Na]+ 394.15597 192.6
[M-H]- 370.15947 189.8
[M+NH4]+ 389.20057 199.6
[M+K]+ 410.12991 188.2
[M+H-H2O]+ 354.16401 177.7
[M+HCOO]- 416.16495 199.7
[M+CH3COO]- 430.18060 221.8
[M+Na-2H]- 392.14142 190.5
[M]+ 371.16620 193.0
[M]- 371.16730 193.0
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.