CID 359497

148902-86-7

Structural Information

Molecular Formula
C16H16N4O3
SMILES
CN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)NCCN)[N+](=O)[O-]
InChI
InChI=1S/C16H16N4O3/c1-19-12-5-3-2-4-10(12)16(21)14-13(20(22)23)7-6-11(15(14)19)18-9-8-17/h2-7,18H,8-9,17H2,1H3
InChIKey
IDBWSKFVWNOHNE-UHFFFAOYSA-N
Compound name
4-(2-aminoethylamino)-10-methyl-1-nitroacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.12953 167.7
[M+Na]+ 335.11147 182.8
[M+NH4]+ 330.15607 175.2
[M+K]+ 351.08541 177.9
[M-H]- 311.11497 172.9
[M+Na-2H]- 333.09692 174.0
[M]+ 312.12170 171.2
[M]- 312.12280 171.2
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.