CID 470829

N1-9-acridinyl-1,2-ethanediamine

Structural Information

Molecular Formula
C15H15N3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCN
InChI
InChI=1S/C15H15N3/c16-9-10-17-15-11-5-1-3-7-13(11)18-14-8-4-2-6-12(14)15/h1-8H,9-10,16H2,(H,17,18)
InChIKey
YCSJDVLZYJRUHZ-UHFFFAOYSA-N
Compound name
N'-acridin-9-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

237.1266 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.13388 150.2
[M+Na]+ 260.11582 159.2
[M-H]- 236.11932 154.1
[M+NH4]+ 255.16042 168.1
[M+K]+ 276.08976 153.4
[M+H-H2O]+ 220.12386 142.2
[M+HCOO]- 282.12480 174.0
[M+CH3COO]- 296.14045 162.6
[M+Na-2H]- 258.10127 161.4
[M]+ 237.12605 150.2
[M]- 237.12715 150.2
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