CID 34315

1-nitro-9-(dimethylamino)-acridine hydrochloride

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CN(C)C1=CC=CC2=NC3=C(C=C21)C(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O2/c1-17(2)14-7-3-5-12-10(14)9-11-13(16-12)6-4-8-15(11)18(19)20/h3-9H,1-2H3
InChIKey
VLPVTFQMSDZWRU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-8-nitroacridin-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.10077 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.10805 156.0
[M+Na]+ 290.08999 164.5
[M-H]- 266.09349 162.0
[M+NH4]+ 285.13459 172.7
[M+K]+ 306.06393 157.1
[M+H-H2O]+ 250.09803 152.0
[M+HCOO]- 312.09897 180.6
[M+CH3COO]- 326.11462 200.1
[M+Na-2H]- 288.07544 167.2
[M]+ 267.10022 157.7
[M]- 267.10132 157.7
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.