CID 41338

4,5-bis(aminomethyl)acridine dihydrochloride

Structural Information

Molecular Formula
C15H15N3
SMILES
C1=CC2=CC3=C(C(=CC=C3)CN)N=C2C(=C1)CN
InChI
InChI=1S/C15H15N3/c16-8-12-5-1-3-10-7-11-4-2-6-13(9-17)15(11)18-14(10)12/h1-7H,8-9,16-17H2
InChIKey
MSWWUTGOZYZCRT-UHFFFAOYSA-N
Compound name
[5-(aminomethyl)acridin-4-yl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.1266 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 151.9
[M+Na]+ 260.11582 161.9
[M-H]- 236.11932 155.7
[M+NH4]+ 255.16042 169.9
[M+K]+ 276.08976 155.8
[M+H-H2O]+ 220.12386 144.2
[M+HCOO]- 282.12480 175.1
[M+CH3COO]- 296.14045 164.4
[M+Na-2H]- 258.10127 161.2
[M]+ 237.12605 151.3
[M]- 237.12715 151.3
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

No patent data available for this compound.