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 166.7
[M+Na]+ 335.11147 175.5
[M-H]- 311.11497 171.2
[M+NH4]+ 330.15607 180.7
[M+K]+ 351.08541 166.4
[M+H-H2O]+ 295.11951 162.6
[M+HCOO]- 357.12045 191.0
[M+CH3COO]- 371.13610 207.8
[M+Na-2H]- 333.09692 176.6
[M]+ 312.12170 167.4
[M]- 312.12280 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.