CID 35407

Acridine, 9-(2-quinolylmethyl)-

Structural Information

Molecular Formula
C23H16N2
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CC3=C4C=CC=CC4=NC5=CC=CC=C53
InChI
InChI=1S/C23H16N2/c1-4-10-21-16(7-1)13-14-17(24-21)15-20-18-8-2-5-11-22(18)25-23-12-6-3-9-19(20)23/h1-14H,15H2
InChIKey
ILHALOHHYDDHGN-UHFFFAOYSA-N
Compound name
9-(quinolin-2-ylmethyl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.13135 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13863 177.1
[M+Na]+ 343.12057 187.2
[M-H]- 319.12407 183.5
[M+NH4]+ 338.16517 190.9
[M+K]+ 359.09451 178.2
[M+H-H2O]+ 303.12861 165.1
[M+HCOO]- 365.12955 195.5
[M+CH3COO]- 379.14520 187.6
[M+Na-2H]- 341.10602 187.6
[M]+ 320.13080 178.0
[M]- 320.13190 178.0
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.