CID 32267

9-acridanone, 10-(3-(dimethylamino)propyl)-1-nitro-, hydrochloride

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CN(C)CCCN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C31
InChI
InChI=1S/C18H19N3O3/c1-19(2)11-6-12-20-14-8-4-3-7-13(14)18(22)17-15(20)9-5-10-16(17)21(23)24/h3-5,7-10H,6,11-12H2,1-2H3
InChIKey
YQXLLRDBDNSHGZ-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)propyl]-1-nitroacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.14992 173.7
[M+Na]+ 348.13186 181.6
[M-H]- 324.13536 179.4
[M+NH4]+ 343.17646 188.1
[M+K]+ 364.10580 173.7
[M+H-H2O]+ 308.13990 168.9
[M+HCOO]- 370.14084 197.4
[M+CH3COO]- 384.15649 211.5
[M+Na-2H]- 346.11731 182.6
[M]+ 325.14209 177.3
[M]- 325.14319 177.3
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.