CID 350399

Naphthalene-1-carbonyl naphthalene-1-carboxylate

Structural Information

Molecular Formula
C22H14O3
SMILES
C1=CC=C2C(=C1)C=CC=C2C(=O)OC(=O)C3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C22H14O3/c23-21(19-13-5-9-15-7-1-3-11-17(15)19)25-22(24)20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKey
BYVCTYDTPSKPRM-UHFFFAOYSA-N
Compound name
naphthalene-1-carbonyl naphthalene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

9322
Patents

326.0943 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.10158 175.4
[M+Na]+ 349.08352 183.5
[M-H]- 325.08702 183.8
[M+NH4]+ 344.12812 190.5
[M+K]+ 365.05746 178.2
[M+H-H2O]+ 309.09156 166.0
[M+HCOO]- 371.09250 196.4
[M+CH3COO]- 385.10815 186.7
[M+Na-2H]- 347.06897 182.2
[M]+ 326.09375 177.8
[M]- 326.09485 177.8
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