CID 10379527

Cktziljmzwvyio-uhfffaoysa-n

Structural Information

Molecular Formula
C15H21N3O3
SMILES
CCC1=NN(C(=O)N1CCOC2=CC=CC=C2)CCCO
InChI
InChI=1S/C15H21N3O3/c1-2-14-16-18(9-6-11-19)15(20)17(14)10-12-21-13-7-4-3-5-8-13/h3-5,7-8,19H,2,6,9-12H2,1H3
InChIKey
CKTZILJMZWVYIO-UHFFFAOYSA-N
Compound name
5-ethyl-2-(3-hydroxypropyl)-4-(2-phenoxyethyl)-1,2,4-triazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

291.1583 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16558 167.7
[M+Na]+ 314.14752 176.0
[M-H]- 290.15102 169.2
[M+NH4]+ 309.19212 180.4
[M+K]+ 330.12146 171.8
[M+H-H2O]+ 274.15556 158.2
[M+HCOO]- 336.15650 187.7
[M+CH3COO]- 350.17215 199.3
[M+Na-2H]- 312.13297 169.9
[M]+ 291.15775 172.2
[M]- 291.15885 172.2
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