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 149.6
[M+Na]+ 259.09542 159.1
[M-H]- 235.09892 153.7
[M+NH4]+ 254.14002 167.1
[M+K]+ 275.06936 153.4
[M+H-H2O]+ 219.10346 142.0
[M+HCOO]- 281.10440 173.3
[M+CH3COO]- 295.12005 161.9
[M+Na-2H]- 257.08087 158.9
[M]+ 236.10565 146.9
[M]- 236.10675 146.9
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.