CID 24832693

Niosh/ar7644000

Structural Information

Molecular Formula
C14H12N4
SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)C(=N)N)N
InChI
InChI=1S/C14H12N4/c15-13-9-3-1-2-4-11(9)18-12-7-8(14(16)17)5-6-10(12)13/h1-7H,(H2,15,18)(H3,16,17)
InChIKey
ZZSIDLMUHFFIKB-UHFFFAOYSA-N
Compound name
9-aminoacridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.1062 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11348 150.9
[M+Na]+ 259.09542 164.9
[M+NH4]+ 254.14002 159.8
[M+K]+ 275.06936 157.5
[M-H]- 235.09892 156.0
[M+Na-2H]- 257.08087 158.7
[M]+ 236.10565 154.2
[M]- 236.10675 154.2
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.