CID 3033966

P-naphtholbenzein

Structural Information

Molecular Formula
C27H18O2
SMILES
C1=CC=C(C=C1)/C(=C\2/C=CC(=O)C3=CC=CC=C23)/C4=CC=C(C5=CC=CC=C54)O
InChI
InChI=1S/C27H18O2/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28H/b27-24+
InChIKey
VDDWRTZCUJCDJM-SOYKGTTHSA-N
Compound name
(4E)-4-[(4-hydroxynaphthalen-1-yl)-phenylmethylidene]naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

58
Patents

374.13068 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13796 190.8
[M+Na]+ 397.11990 197.5
[M-H]- 373.12340 200.2
[M+NH4]+ 392.16450 202.8
[M+K]+ 413.09384 189.2
[M+H-H2O]+ 357.12794 180.0
[M+HCOO]- 419.12888 207.5
[M+CH3COO]- 433.14453 199.8
[M+Na-2H]- 395.10535 194.4
[M]+ 374.13013 187.4
[M]- 374.13123 187.4
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