CID 334401

Nsc339496

Structural Information

Molecular Formula
C20H17N3O
SMILES
COC1=C(C=CC(=C1)N)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H17N3O/c1-24-19-12-13(21)10-11-18(19)23-20-14-6-2-4-8-16(14)22-17-9-5-3-7-15(17)20/h2-12H,21H2,1H3,(H,22,23)
InChIKey
ZFZIUGOGRMNHQT-UHFFFAOYSA-N
Compound name
1-N-acridin-9-yl-2-methoxybenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

315.13718 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14446 172.5
[M+Na]+ 338.12640 182.1
[M-H]- 314.12990 179.8
[M+NH4]+ 333.17100 186.9
[M+K]+ 354.10034 175.4
[M+H-H2O]+ 298.13444 162.6
[M+HCOO]- 360.13538 195.8
[M+CH3COO]- 374.15103 183.9
[M+Na-2H]- 336.11185 181.9
[M]+ 315.13663 173.6
[M]- 315.13773 173.6
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