CID 165304

6,7-dihydro-5,8-dimethyl-dibenzo(b,j)(1,10)phenanthroline

Structural Information

Molecular Formula
C22H18N2
SMILES
CC1=C2CCC3=C(C4=CC=CC=C4N=C3C2=NC5=CC=CC=C15)C
InChI
InChI=1S/C22H18N2/c1-13-15-7-3-5-9-19(15)23-21-17(13)11-12-18-14(2)16-8-4-6-10-20(16)24-22(18)21/h3-10H,11-12H2,1-2H3
InChIKey
RWOUETIZGZHNKY-UHFFFAOYSA-N
Compound name
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

310.147 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.15428 175.4
[M+Na]+ 333.13622 186.5
[M-H]- 309.13972 180.0
[M+NH4]+ 328.18082 191.4
[M+K]+ 349.11016 178.1
[M+H-H2O]+ 293.14426 164.2
[M+HCOO]- 355.14520 191.1
[M+CH3COO]- 369.16085 186.0
[M+Na-2H]- 331.12167 184.3
[M]+ 310.14645 176.6
[M]- 310.14755 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe