CID 6447426

1-naphthaleneacetic acid, alpha-(3,3-diphenyl-2-propenylidene)-, (e)-

Structural Information

Molecular Formula
C27H20O2
SMILES
C1=CC=C(C=C1)C(=C/C=C(\C2=CC=CC3=CC=CC=C32)/C(=O)O)C4=CC=CC=C4
InChI
InChI=1S/C27H20O2/c28-27(29)26(25-17-9-15-22-14-7-8-16-24(22)25)19-18-23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-19H,(H,28,29)/b26-19+
InChIKey
LBTDKNGEQONJDG-LGUFXXKBSA-N
Compound name
(2E)-2-naphthalen-1-yl-5,5-diphenylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.14633 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.15361 192.9
[M+Na]+ 399.13555 196.5
[M-H]- 375.13905 200.6
[M+NH4]+ 394.18015 203.3
[M+K]+ 415.10949 188.7
[M+H-H2O]+ 359.14359 182.7
[M+HCOO]- 421.14453 209.9
[M+CH3COO]- 435.16018 200.9
[M+Na-2H]- 397.12100 194.6
[M]+ 376.14578 189.2
[M]- 376.14688 189.2
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.