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]+ 361.09178 174.9
[M+Na]+ 383.07372 182.6
[M-H]- 359.07722 179.9
[M+NH4]+ 378.11832 188.6
[M+K]+ 399.04766 183.2
[M+H-H2O]+ 343.08176 167.8
[M+HCOO]- 405.08270 194.6
[M+CH3COO]- 419.09835 215.4
[M+Na-2H]- 381.05917 175.2
[M]+ 360.08395 184.4
[M]- 360.08505 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.