CID 37612

Ccris 4550

Structural Information

Molecular Formula
C20H17N3
SMILES
CNC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H17N3/c1-21-14-10-12-15(13-11-14)22-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13,21H,1H3,(H,22,23)
InChIKey
SVIPDPNCURSLKO-UHFFFAOYSA-N
Compound name
4-N-acridin-9-yl-1-N-methylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1
Patents

299.14224 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14952 170.8
[M+Na]+ 322.13146 188.8
[M+NH4]+ 317.17606 181.2
[M+K]+ 338.10540 177.7
[M-H]- 298.13496 179.1
[M+Na-2H]- 320.11691 182.7
[M]+ 299.14169 176.1
[M]- 299.14279 176.1
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