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

74
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

literature stripe

Patent stripe

patents stripe