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 195.6
[M+Na]+ 412.16720 202.7
[M-H]- 388.17070 203.0
[M+NH4]+ 407.21180 208.4
[M+K]+ 428.14114 194.0
[M+H-H2O]+ 372.17524 182.4
[M+HCOO]- 434.17618 208.8
[M+CH3COO]- 448.19183 203.7
[M+Na-2H]- 410.15265 201.3
[M]+ 389.17743 193.6
[M]- 389.17853 193.6
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