CID 520552

Naphthalene-1,4,5,8-tetracarboxylic acid tetramethyl ester

Structural Information

Molecular Formula
C18H16O8
SMILES
COC(=O)C1=C2C(=CC=C(C2=C(C=C1)C(=O)OC)C(=O)OC)C(=O)OC
InChI
InChI=1S/C18H16O8/c1-23-15(19)9-5-6-11(17(21)25-3)14-12(18(22)26-4)8-7-10(13(9)14)16(20)24-2/h5-8H,1-4H3
InChIKey
QGAXWPQVFUUSGN-UHFFFAOYSA-N
Compound name
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

26
Patents

360.0845 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.091776 174.9
[M+Na]+ 383.073718 182.6
[M-H]- 359.077224 179.9
[M+NH4]+ 378.118323 188.6
[M+K]+ 399.047658 183.2
[M+H-H2O]+ 343.081760 167.8
[M+HCOO]- 405.082701 194.6
[M+CH3COO]- 419.098351 215.4
[M+Na-2H]- 381.059166 175.2
[M]+ 360.08395142 184.4
[M]- 360.08504858 184.4
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