CID 504441

Schembl10327462

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC4=C(C=C3)N=C(S4)OC
InChI
InChI=1S/C20H24N4O2S/c1-14-3-6-19(23-22-14)24-10-7-15(8-11-24)9-12-26-16-4-5-17-18(13-16)27-20(21-17)25-2/h3-6,13,15H,7-12H2,1-2H3
InChIKey
XZJGRBLCASLULQ-UHFFFAOYSA-N
Compound name
2-methoxy-6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-1,3-benzothiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

384.162 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16928 190.9
[M+Na]+ 407.15122 199.5
[M-H]- 383.15472 196.3
[M+NH4]+ 402.19582 200.6
[M+K]+ 423.12516 193.2
[M+H-H2O]+ 367.15926 180.1
[M+HCOO]- 429.16020 202.7
[M+CH3COO]- 443.17585 199.8
[M+Na-2H]- 405.13667 190.7
[M]+ 384.16145 194.8
[M]- 384.16255 194.8
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

patents stripe