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

14
Patents

209.09529 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.10257 142.7
[M+Na]+ 232.08451 153.6
[M-H]- 208.08801 146.9
[M+NH4]+ 227.12911 161.8
[M+K]+ 248.05845 147.9
[M+H-H2O]+ 192.09255 135.4
[M+HCOO]- 254.09349 166.6
[M+CH3COO]- 268.10914 156.0
[M+Na-2H]- 230.06996 153.1
[M]+ 209.09474 141.5
[M]- 209.09584 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