CID 1804014

7-(4-methoxyphenyl)-5,6,8,9-tetrahydrodibenzo[c,h]acridine

Structural Information

Molecular Formula
C28H23NO
SMILES
COC1=CC=C(C=C1)C2=C3CCC4=CC=CC=C4C3=NC5=C2CCC6=CC=CC=C65
InChI
InChI=1S/C28H23NO/c1-30-21-14-10-20(11-15-21)26-24-16-12-18-6-2-4-8-22(18)27(24)29-28-23-9-5-3-7-19(23)13-17-25(26)28/h2-11,14-15H,12-13,16-17H2,1H3
InChIKey
ZOBJUQJIDUDLJB-UHFFFAOYSA-N
Compound name
13-(4-methoxyphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,13,17,19,21-nonaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

389.17798 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18526 198.3
[M+Na]+ 412.16720 218.4
[M+NH4]+ 407.21180 210.1
[M+K]+ 428.14114 205.1
[M-H]- 388.17070 207.3
[M+Na-2H]- 410.15265 207.5
[M]+ 389.17743 204.4
[M]- 389.17853 204.4
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