CID 41872

9-(2-pyridylmethyl)acridine dihydrochloride

Structural Information

Molecular Formula
C19H14N2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CC4=CC=CC=N4
InChI
InChI=1S/C19H14N2/c1-3-10-18-15(8-1)17(13-14-7-5-6-12-20-14)16-9-2-4-11-19(16)21-18/h1-12H,13H2
InChIKey
HJMHJQIYDYNWLQ-UHFFFAOYSA-N
Compound name
9-(pyridin-2-ylmethyl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1157 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12298 162.5
[M+Na]+ 293.10492 172.5
[M-H]- 269.10842 168.2
[M+NH4]+ 288.14952 177.7
[M+K]+ 309.07886 165.0
[M+H-H2O]+ 253.11296 152.0
[M+HCOO]- 315.11390 183.0
[M+CH3COO]- 329.12955 174.2
[M+Na-2H]- 291.09037 173.4
[M]+ 270.11515 163.4
[M]- 270.11625 163.4
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

No patent data available for this compound.