CID 380482

3-(9-acridinylamino)-5-hydroxymethylaniline

Structural Information

Molecular Formula
C20H17N3O
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)N)CO
InChI
InChI=1S/C20H17N3O/c21-14-9-13(12-24)10-15(11-14)22-20-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)20/h1-11,24H,12,21H2,(H,22,23)
InChIKey
GZHHMAFXYHPHBO-UHFFFAOYSA-N
Compound name
[3-(acridin-9-ylamino)-5-aminophenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

76
Patents

315.13718 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14446 171.9
[M+Na]+ 338.12640 181.0
[M-H]- 314.12990 177.8
[M+NH4]+ 333.17100 185.6
[M+K]+ 354.10034 173.5
[M+H-H2O]+ 298.13444 162.4
[M+HCOO]- 360.13538 193.7
[M+CH3COO]- 374.15103 182.6
[M+Na-2H]- 336.11185 180.9
[M]+ 315.13663 171.3
[M]- 315.13773 171.3
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.