CID 3048137

D 281

Structural Information

Molecular Formula
C21H27N3O2S
SMILES
CCCN(CCC)CCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C21H27N3O2S/c1-3-13-23(14-4-2)15-8-16-26-21(25)24-17-9-5-6-10-18(17)27-19-11-7-12-22-20(19)24/h5-7,9-12H,3-4,8,13-16H2,1-2H3
InChIKey
BQXZWBKOUNUKJD-UHFFFAOYSA-N
Compound name
3-(dipropylamino)propyl 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

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18968 191.7
[M+Na]+ 408.17162 196.5
[M-H]- 384.17512 194.0
[M+NH4]+ 403.21622 203.4
[M+K]+ 424.14556 191.8
[M+H-H2O]+ 368.17966 181.8
[M+HCOO]- 430.18060 203.7
[M+CH3COO]- 444.19625 224.7
[M+Na-2H]- 406.15707 194.3
[M]+ 385.18185 197.6
[M]- 385.18295 197.6
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.