CID 34315

9-acridinamine, n,n-dimethyl-1-nitro-, 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]+ 268.108046 156.0
[M+Na]+ 290.089988 164.5
[M-H]- 266.093494 162.0
[M+NH4]+ 285.134593 172.7
[M+K]+ 306.063928 157.1
[M+H-H2O]+ 250.098030 152.0
[M+HCOO]- 312.098971 180.6
[M+CH3COO]- 326.114621 200.1
[M+Na-2H]- 288.075436 167.2
[M]+ 267.10022142 157.7
[M]- 267.10131858 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.