CID 3051452

10h-pyrido(3,2-b)(1,4)benzothiazine, 10-(2-(dibutylamino)ethyl)-

Structural Information

Molecular Formula
C21H29N3S
SMILES
CCCCN(CCCC)CCN1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C21H29N3S/c1-3-5-14-23(15-6-4-2)16-17-24-18-10-7-8-11-19(18)25-20-12-9-13-22-21(20)24/h7-13H,3-6,14-17H2,1-2H3
InChIKey
UEWPEVNSKXXUGP-UHFFFAOYSA-N
Compound name
N-butyl-N-(2-pyrido[3,2-b][1,4]benzothiazin-10-ylethyl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.20822 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.21550 185.0
[M+Na]+ 378.19744 190.3
[M-H]- 354.20094 187.2
[M+NH4]+ 373.24204 198.3
[M+K]+ 394.17138 184.4
[M+H-H2O]+ 338.20548 175.2
[M+HCOO]- 400.20642 197.5
[M+CH3COO]- 414.22207 221.8
[M+Na-2H]- 376.18289 188.3
[M]+ 355.20767 189.6
[M]- 355.20877 189.6
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.