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 180.4
[M+Na]+ 363.16140 186.8
[M-H]- 339.16490 181.6
[M+NH4]+ 358.20600 190.7
[M+K]+ 379.13534 179.4
[M+H-H2O]+ 323.16944 169.2
[M+HCOO]- 385.17038 186.7
[M+CH3COO]- 399.18603 187.8
[M+Na-2H]- 361.14685 183.1
[M]+ 340.17163 178.2
[M]- 340.17273 178.2
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.