CID 504432

Schembl1562365

Structural Information

Molecular Formula
C20H24N4O2S
SMILES
CC1=NN=C(C=C1)N2CCC(CC2)CCOC3=CC4=C(C=C3)N=C(O4)SC
InChI
InChI=1S/C20H24N4O2S/c1-14-3-6-19(23-22-14)24-10-7-15(8-11-24)9-12-25-16-4-5-17-18(13-16)26-20(21-17)27-2/h3-6,13,15H,7-12H2,1-2H3
InChIKey
VUWGIRZLRXJMSM-UHFFFAOYSA-N
Compound name
6-[2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy]-2-methylsulfanyl-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
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 191.2
[M+Na]+ 407.15122 200.2
[M-H]- 383.15472 197.2
[M+NH4]+ 402.19582 199.6
[M+K]+ 423.12516 194.8
[M+H-H2O]+ 367.15926 180.6
[M+HCOO]- 429.16020 202.2
[M+CH3COO]- 443.17585 200.2
[M+Na-2H]- 405.13667 191.0
[M]+ 384.16145 195.5
[M]- 384.16255 195.5
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