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]+ 308.124096 167.4
[M+Na]+ 330.106038 176.0
[M-H]- 306.109544 170.8
[M+NH4]+ 325.150643 180.0
[M+K]+ 346.079978 174.7
[M+H-H2O]+ 290.114080 157.8
[M+HCOO]- 352.115021 188.7
[M+CH3COO]- 366.130671 203.2
[M+Na-2H]- 328.091486 169.8
[M]+ 307.11627142 175.6
[M]- 307.11736858 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.