CID 5272757

Schembl9804007

Structural Information

Molecular Formula
C19H24N4O2
SMILES
CC1=NOC(=C1)CCCCCCCOC2=CC=C(C=C2)N3C=NC=N3
InChI
InChI=1S/C19H24N4O2/c1-16-13-19(25-22-16)7-5-3-2-4-6-12-24-18-10-8-17(9-11-18)23-15-20-14-21-23/h8-11,13-15H,2-7,12H2,1H3
InChIKey
KPCLGRNMCTWCIJ-UHFFFAOYSA-N
Compound name
3-methyl-5-[7-[4-(1,2,4-triazol-1-yl)phenoxy]heptyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

340.1899 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.197176 179.8
[M+Na]+ 363.179118 188.0
[M-H]- 339.182624 185.2
[M+NH4]+ 358.223723 189.9
[M+K]+ 379.153058 184.1
[M+H-H2O]+ 323.187160 168.6
[M+HCOO]- 385.188101 200.8
[M+CH3COO]- 399.203751 190.3
[M+Na-2H]- 361.164566 181.6
[M]+ 340.18935142 187.0
[M]- 340.19044858 187.0
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