CID 3051461

D 701

Structural Information

Molecular Formula
C19H24N4S
SMILES
CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2N=CC=C4
InChI
InChI=1S/C19H24N4S/c1-21-12-14-22(15-13-21)10-5-11-23-16-6-2-3-7-17(16)24-18-8-4-9-20-19(18)23/h2-4,6-9H,5,10-15H2,1H3
InChIKey
CLMSJQPGBDCRPB-UHFFFAOYSA-N
Compound name
10-[3-(4-methylpiperazin-1-yl)propyl]pyrido[3,2-b][1,4]benzothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17218 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.17946 180.7
[M+Na]+ 363.16140 195.7
[M+NH4]+ 358.20600 189.8
[M+K]+ 379.13534 184.1
[M-H]- 339.16490 185.2
[M+Na-2H]- 361.14685 187.3
[M]+ 340.17163 184.7
[M]- 340.17273 184.7
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.