CID 5110939

1,1'-(4-isopropylbenzylidene)di-2-naphthol

Structural Information

Molecular Formula
C30H26O2
SMILES
CC(C)C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O
InChI
InChI=1S/C30H26O2/c1-19(2)20-11-13-23(14-12-20)28(29-24-9-5-3-7-21(24)15-17-26(29)31)30-25-10-6-4-8-22(25)16-18-27(30)32/h3-19,28,31-32H,1-2H3
InChIKey
WHEXVGQIHXDZJU-UHFFFAOYSA-N
Compound name
1-[(2-hydroxynaphthalen-1-yl)-(4-propan-2-ylphenyl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

418.19327 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20055 205.1
[M+Na]+ 441.18249 211.7
[M-H]- 417.18599 213.6
[M+NH4]+ 436.22709 215.0
[M+K]+ 457.15643 203.9
[M+H-H2O]+ 401.19053 194.3
[M+HCOO]- 463.19147 220.5
[M+CH3COO]- 477.20712 213.1
[M+Na-2H]- 439.16794 206.8
[M]+ 418.19272 205.0
[M]- 418.19382 205.0
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

patents stripe