CID 381230

Nsc667638

Structural Information

Molecular Formula
C24H22O4
SMILES
CC1=CC2=C(C=CC(=C2C(=C1)OC)O)C3=C4C=C(C=C(C4=C(C=C3)O)OC)C
InChI
InChI=1S/C24H22O4/c1-13-9-17-15(5-7-19(25)23(17)21(11-13)27-3)16-6-8-20(26)24-18(16)10-14(2)12-22(24)28-4/h5-12,25-26H,1-4H3
InChIKey
DJYFPJBJEPLTAQ-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-5-methoxy-7-methylnaphthalen-1-yl)-8-methoxy-6-methylnaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.1518 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.15908 191.0
[M+Na]+ 397.14102 202.3
[M-H]- 373.14452 198.4
[M+NH4]+ 392.18562 204.6
[M+K]+ 413.11496 196.6
[M+H-H2O]+ 357.14906 182.0
[M+HCOO]- 419.15000 209.8
[M+CH3COO]- 433.16565 202.0
[M+Na-2H]- 395.12647 194.0
[M]+ 374.15125 197.2
[M]- 374.15235 197.2
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.