CID 3051502

10h-pyrido(3,2-b)(1,4)benzothiazine, 10-(3-(1-pyrrolidinyl)propyl)-

Structural Information

Molecular Formula
C18H21N3S
SMILES
C1CCN(C1)CCCN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C18H21N3S/c1-2-8-16-15(7-1)21(14-6-13-20-11-3-4-12-20)18-17(22-16)9-5-10-19-18/h1-2,5,7-10H,3-4,6,11-14H2
InChIKey
SXOBLLGWQLLHCJ-UHFFFAOYSA-N
Compound name
10-(3-pyrrolidin-1-ylpropyl)pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.14563 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15291 171.8
[M+Na]+ 334.13485 185.9
[M+NH4]+ 329.17945 181.8
[M+K]+ 350.10879 176.2
[M-H]- 310.13835 176.4
[M+Na-2H]- 332.12030 178.3
[M]+ 311.14508 175.7
[M]- 311.14618 175.7
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.

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No patent data available for this compound.