CID 374708

3-[(4,5-dimethyl-1-nitro-acridin-9-yl)amino]propyl-hydroxy-dimethyl-ammonium

Structural Information

Molecular Formula
C20H25N4O3
SMILES
CC1=C2C(=CC=C1)C(=C3C(=CC=C(C3=N2)C)[N+](=O)[O-])NCCC[N+](C)(C)O
InChI
InChI=1S/C20H25N4O3/c1-13-7-5-8-15-18(13)22-19-14(2)9-10-16(23(25)26)17(19)20(15)21-11-6-12-24(3,4)27/h5,7-10,27H,6,11-12H2,1-4H3,(H,21,22)/q+1
InChIKey
QWAPFNQTIKGLPG-UHFFFAOYSA-N
Compound name
3-[(4,5-dimethyl-1-nitroacridin-9-yl)amino]propyl-hydroxy-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.19266 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19994 185.7
[M+Na]+ 392.18188 192.1
[M-H]- 368.18538 190.3
[M+NH4]+ 387.22648 197.4
[M+K]+ 408.15582 178.0
[M+H-H2O]+ 352.18992 184.1
[M+HCOO]- 414.19086 206.5
[M+CH3COO]- 428.20651 214.5
[M+Na-2H]- 390.16733 198.1
[M]+ 369.19211 186.9
[M]- 369.19321 186.9
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.