CID 3048119

D 233

Structural Information

Molecular Formula
C19H23N3O2S
SMILES
CCN(CC)CCCOC(=O)N1C2=CC=CC=C2SC3=C1N=CC=C3
InChI
InChI=1S/C19H23N3O2S/c1-3-21(4-2)13-8-14-24-19(23)22-15-9-5-6-10-16(15)25-17-11-7-12-20-18(17)22/h5-7,9-12H,3-4,8,13-14H2,1-2H3
InChIKey
NJYSEZQKAGIHBM-UHFFFAOYSA-N
Compound name
3-(diethylamino)propyl pyrido[3,2-b][1,4]benzothiazine-10-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.1511 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.15838 182.9
[M+Na]+ 380.14032 188.7
[M-H]- 356.14382 185.7
[M+NH4]+ 375.18492 195.8
[M+K]+ 396.11426 184.5
[M+H-H2O]+ 340.14836 173.5
[M+HCOO]- 402.14930 195.7
[M+CH3COO]- 416.16495 218.9
[M+Na-2H]- 378.12577 186.6
[M]+ 357.15055 188.3
[M]- 357.15165 188.3
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.