CID 21987539

9,10-dibutoxyanthracene

Structural Information

Molecular Formula
C22H26O2
SMILES
CCCCOC1=C2C=CC=CC2=C(C3=CC=CC=C31)OCCCC
InChI
InChI=1S/C22H26O2/c1-3-5-15-23-21-17-11-7-9-13-19(17)22(24-16-6-4-2)20-14-10-8-12-18(20)21/h7-14H,3-6,15-16H2,1-2H3
InChIKey
KSMGAOMUPSQGTB-UHFFFAOYSA-N
Compound name
9,10-dibutoxyanthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7910
Patents

322.19327 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.20055 179.4
[M+Na]+ 345.18249 187.4
[M-H]- 321.18599 184.4
[M+NH4]+ 340.22709 196.1
[M+K]+ 361.15643 181.9
[M+H-H2O]+ 305.19053 170.9
[M+HCOO]- 367.19147 200.8
[M+CH3COO]- 381.20712 212.6
[M+Na-2H]- 343.16794 185.5
[M]+ 322.19272 186.4
[M]- 322.19382 186.4
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