CID 3045265

66760-21-2

Structural Information

Molecular Formula
C14H17N3O5
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C=NC=N2
InChI
InChI=1S/C14H17N3O5/c1-19-11-6-10(7-12(20-2)13(11)21-3)14(18)22-5-4-17-9-15-8-16-17/h6-9H,4-5H2,1-3H3
InChIKey
YNEMAUAUYCTKBH-UHFFFAOYSA-N
Compound name
2-(1,2,4-triazol-1-yl)ethyl 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.11682 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12410 167.4
[M+Na]+ 330.10604 176.0
[M-H]- 306.10954 170.8
[M+NH4]+ 325.15064 180.0
[M+K]+ 346.07998 174.7
[M+H-H2O]+ 290.11408 157.8
[M+HCOO]- 352.11502 188.7
[M+CH3COO]- 366.13067 203.2
[M+Na-2H]- 328.09149 169.8
[M]+ 307.11627 175.6
[M]- 307.11737 175.6
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

No patent data available for this compound.