CID 3051501

D 264

Structural Information

Molecular Formula
C18H21N3S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1N=CC=C3)N4CCCC4
InChI
InChI=1S/C18H21N3S/c1-14(20-11-4-5-12-20)13-21-15-7-2-3-8-16(15)22-17-9-6-10-19-18(17)21/h2-3,6-10,14H,4-5,11-13H2,1H3
InChIKey
JUGLDYQAAWEWCX-UHFFFAOYSA-N
Compound name
10-(2-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

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15291 171.9
[M+Na]+ 334.13485 178.8
[M-H]- 310.13835 175.4
[M+NH4]+ 329.17945 186.7
[M+K]+ 350.10879 172.9
[M+H-H2O]+ 294.14289 162.8
[M+HCOO]- 356.14383 181.4
[M+CH3COO]- 370.15948 181.2
[M+Na-2H]- 332.12030 172.7
[M]+ 311.14508 170.7
[M]- 311.14618 170.7
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.

Patent stripe

No patent data available for this compound.