CID 3048129

D 269

Structural Information

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

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.18968 191.6
[M+Na]+ 408.17162 195.7
[M-H]- 384.17512 194.0
[M+NH4]+ 403.21622 203.1
[M+K]+ 424.14556 192.3
[M+H-H2O]+ 368.17966 182.3
[M+HCOO]- 430.18060 201.5
[M+CH3COO]- 444.19625 226.5
[M+Na-2H]- 406.15707 192.3
[M]+ 385.18185 196.5
[M]- 385.18295 196.5
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.