CID 4302026

128071-39-6

Structural Information

Molecular Formula
C15H14N4O3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)NCCN)[N+](=O)[O-]
InChI
InChI=1S/C15H14N4O3/c16-7-8-17-11-5-6-12(19(21)22)13-14(11)18-10-4-2-1-3-9(10)15(13)20/h1-6,17H,7-8,16H2,(H,18,20)
InChIKey
GKIRIKIDXIXOKE-UHFFFAOYSA-N
Compound name
4-(2-aminoethylamino)-1-nitro-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.1066 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11388 160.0
[M+Na]+ 321.09582 167.9
[M-H]- 297.09932 163.0
[M+NH4]+ 316.14042 173.6
[M+K]+ 337.06976 158.2
[M+H-H2O]+ 281.10386 156.3
[M+HCOO]- 343.10480 183.3
[M+CH3COO]- 357.12045 201.1
[M+Na-2H]- 319.08127 170.9
[M]+ 298.10605 158.3
[M]- 298.10715 158.3
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.