CID 9580512

[(e)-[2-(trifluoromethoxy)phenyl]methylideneamino] 3,4,5-trimethoxybenzoate

Structural Information

Molecular Formula
C18H16F3NO6
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)O/N=C/C2=CC=CC=C2OC(F)(F)F
InChI
InChI=1S/C18H16F3NO6/c1-24-14-8-12(9-15(25-2)16(14)26-3)17(23)28-22-10-11-6-4-5-7-13(11)27-18(19,20)21/h4-10H,1-3H3/b22-10+
InChIKey
JHONBVHFQGSPBN-LSHDLFTRSA-N
Compound name
[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino] 3,4,5-trimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.09296 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.10024 187.1
[M+Na]+ 422.08218 195.4
[M-H]- 398.08568 191.7
[M+NH4]+ 417.12678 198.6
[M+K]+ 438.05612 193.9
[M+H-H2O]+ 382.09022 175.5
[M+HCOO]- 444.09116 208.3
[M+CH3COO]- 458.10681 224.4
[M+Na-2H]- 420.06763 189.3
[M]+ 399.09241 192.7
[M]- 399.09351 192.7
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.