CID 516121

Chembl325735

Structural Information

Molecular Formula
C19H25N5O2
SMILES
CC1=CC(=CC(=C1OCCCCCC2=CC(=NO2)C)C)C3=NN(N=N3)C
InChI
InChI=1S/C19H25N5O2/c1-13-10-16(19-20-23-24(4)21-19)11-14(2)18(13)25-9-7-5-6-8-17-12-15(3)22-26-17/h10-12H,5-9H2,1-4H3
InChIKey
GYDUGGZREMFNJA-UHFFFAOYSA-N
Compound name
5-[5-[2,6-dimethyl-4-(2-methyltetrazol-5-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

355.20084 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20812 186.4
[M+Na]+ 378.19006 197.2
[M-H]- 354.19356 191.7
[M+NH4]+ 373.23466 195.3
[M+K]+ 394.16400 192.8
[M+H-H2O]+ 338.19810 175.3
[M+HCOO]- 400.19904 205.9
[M+CH3COO]- 414.21469 216.0
[M+Na-2H]- 376.17551 185.5
[M]+ 355.20029 195.2
[M]- 355.20139 195.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe