CID 41874

9-(4-pyridylmethyl)acridine dihydrochloride

Structural Information

Molecular Formula
C19H14N2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CC4=CC=NC=C4
InChI
InChI=1S/C19H14N2/c1-3-7-18-15(5-1)17(13-14-9-11-20-12-10-14)16-6-2-4-8-19(16)21-18/h1-12H,13H2
InChIKey
UEEVOHOQPJRVIB-UHFFFAOYSA-N
Compound name
9-(pyridin-4-ylmethyl)acridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

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Patent stripe

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