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]+ 220.08693 153.4
[M+Na]+ 242.06887 166.6
[M-H]- 218.07237 156.3
[M+NH4]+ 237.11347 170.3
[M+K]+ 258.04281 158.2
[M+H-H2O]+ 202.07691 139.6
[M+HCOO]- 264.07785 172.4
[M+CH3COO]- 278.09350 164.7
[M+Na-2H]- 240.05432 161.9
[M]+ 219.07910 148.4
[M]- 219.08020 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.