CID 383210

Nsc671326

Structural Information

Molecular Formula
C22H20O2
SMILES
CC1=C2C=CC3=C(C=CC(=C3C2=C(C4=CC=CC=C14)C)OC)OC
InChI
InChI=1S/C22H20O2/c1-13-15-7-5-6-8-16(15)14(2)21-17(13)9-10-18-19(23-3)11-12-20(24-4)22(18)21/h5-12H,1-4H3
InChIKey
MAHXOZGHSVXBGT-UHFFFAOYSA-N
Compound name
1,4-dimethoxy-7,12-dimethylbenzo[a]anthracene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.14633 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15361 175.3
[M+Na]+ 339.13555 187.1
[M-H]- 315.13905 182.7
[M+NH4]+ 334.18015 193.7
[M+K]+ 355.10949 181.3
[M+H-H2O]+ 299.14359 166.7
[M+HCOO]- 361.14453 196.0
[M+CH3COO]- 375.16018 187.9
[M+Na-2H]- 337.12100 182.1
[M]+ 316.14578 181.9
[M]- 316.14688 181.9
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.