CID 38502

Acridine, 3,5-diamino-

Structural Information

Molecular Formula
C13H11N3
SMILES
C1=CC2=CC3=C(C=C(C=C3)N)N=C2C(=C1)N
InChI
InChI=1S/C13H11N3/c14-10-5-4-8-6-9-2-1-3-11(15)13(9)16-12(8)7-10/h1-7H,14-15H2
InChIKey
YLRXBQGINRDTNY-UHFFFAOYSA-N
Compound name
acridine-3,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

209.09529 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe