CID 504453

Schembl14491336

Structural Information

Molecular Formula
C18H24N6O3
SMILES
CCOC1=NC2=C(O1)C=C(C=C2)OCCC3CCN(CC3)C4=NN=NN4C
InChI
InChI=1S/C18H24N6O3/c1-3-25-18-19-15-5-4-14(12-16(15)27-18)26-11-8-13-6-9-24(10-7-13)17-20-21-22-23(17)2/h4-5,12-13H,3,6-11H2,1-2H3
InChIKey
PCAKRBSUDWPWOW-UHFFFAOYSA-N
Compound name
2-ethoxy-6-[2-[1-(1-methyltetrazol-5-yl)piperidin-4-yl]ethoxy]-1,3-benzoxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.19098 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.19826 188.0
[M+Na]+ 395.18020 196.3
[M-H]- 371.18370 191.9
[M+NH4]+ 390.22480 194.9
[M+K]+ 411.15414 192.6
[M+H-H2O]+ 355.18824 175.8
[M+HCOO]- 417.18918 202.0
[M+CH3COO]- 431.20483 196.6
[M+Na-2H]- 393.16565 187.6
[M]+ 372.19043 192.4
[M]- 372.19153 192.4
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