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]+ 313.129526 166.7
[M+Na]+ 335.111468 175.5
[M-H]- 311.114974 171.2
[M+NH4]+ 330.156073 180.7
[M+K]+ 351.085408 166.4
[M+H-H2O]+ 295.119510 162.6
[M+HCOO]- 357.120451 191.0
[M+CH3COO]- 371.136101 207.8
[M+Na-2H]- 333.096916 176.6
[M]+ 312.12170142 167.4
[M]- 312.12279858 167.4
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.