CID 38497

Acridine, 3,8-diamino-

Structural Information

Molecular Formula
C13H11N3
SMILES
C1=CC(=C2C=C3C=CC(=CC3=NC2=C1)N)N
InChI
InChI=1S/C13H11N3/c14-9-5-4-8-6-10-11(15)2-1-3-12(10)16-13(8)7-9/h1-7H,14-15H2
InChIKey
CSUHFMCPKPKGOF-UHFFFAOYSA-N
Compound name
acridine-1,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

209.09529 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.102566 142.7
[M+Na]+ 232.084508 153.6
[M-H]- 208.088014 146.9
[M+NH4]+ 227.129113 161.8
[M+K]+ 248.058448 147.9
[M+H-H2O]+ 192.092550 135.4
[M+HCOO]- 254.093491 166.6
[M+CH3COO]- 268.109141 156.0
[M+Na-2H]- 230.069956 153.1
[M]+ 209.09474142 141.5
[M]- 209.09583858 141.5
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

patents stripe