CID 603039

1,3-bis(1-naphthalenyloxy)-2-propanol

Structural Information

Molecular Formula
C23H20O3
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC(COC3=CC=CC4=CC=CC=C43)O
InChI
InChI=1S/C23H20O3/c24-19(15-25-22-13-5-9-17-7-1-3-11-20(17)22)16-26-23-14-6-10-18-8-2-4-12-21(18)23/h1-14,19,24H,15-16H2
InChIKey
PKZXCEVVANTTGF-UHFFFAOYSA-N
Compound name
1,3-dinaphthalen-1-yloxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

344.14124 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.14852 181.3
[M+Na]+ 367.13046 188.1
[M-H]- 343.13396 187.9
[M+NH4]+ 362.17506 195.0
[M+K]+ 383.10440 182.3
[M+H-H2O]+ 327.13850 171.7
[M+HCOO]- 389.13944 201.1
[M+CH3COO]- 403.15509 191.4
[M+Na-2H]- 365.11591 188.3
[M]+ 344.14069 184.3
[M]- 344.14179 184.3
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