CID 3048191

D 296

Structural Information

Molecular Formula
C21H23N3O2S
SMILES
C=CCN(CCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3)CC=C
InChI
InChI=1S/C21H23N3O2S/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/h3-7,9-12H,1-2,8,13-16H2
InChIKey
ANWRZQVKTAWCOU-UHFFFAOYSA-N
Compound name
3-[bis(prop-2-enyl)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

381.1511 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15838 190.0
[M+Na]+ 404.14032 195.4
[M-H]- 380.14382 192.4
[M+NH4]+ 399.18492 201.7
[M+K]+ 420.11426 189.6
[M+H-H2O]+ 364.14836 180.3
[M+HCOO]- 426.14930 202.4
[M+CH3COO]- 440.16495 223.3
[M+Na-2H]- 402.12577 192.7
[M]+ 381.15055 194.6
[M]- 381.15165 194.6
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.