CID 46661

Acridine, 9-amino-2-cyano-

Structural Information

Molecular Formula
C14H9N3
SMILES
C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C#N)N
InChI
InChI=1S/C14H9N3/c15-8-9-5-6-13-11(7-9)14(16)10-3-1-2-4-12(10)17-13/h1-7H,(H2,16,17)
InChIKey
UZGWBNJMOBHHIU-UHFFFAOYSA-N
Compound name
9-aminoacridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.07965 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.086926 153.4
[M+Na]+ 242.068868 166.6
[M-H]- 218.072374 156.3
[M+NH4]+ 237.113473 170.3
[M+K]+ 258.042808 158.2
[M+H-H2O]+ 202.076910 139.6
[M+HCOO]- 264.077851 172.4
[M+CH3COO]- 278.093501 164.7
[M+Na-2H]- 240.054316 161.9
[M]+ 219.07910142 148.4
[M]- 219.08019858 148.4
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

No patent data available for this compound.