CID 193040

9-acridinamine, n,n-dimethyl-1-nitro-, dihydrochloride

Structural Information

Molecular Formula
C15H13N3O2
SMILES
CN(C)C1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C15H13N3O2/c1-17(2)15-10-6-3-4-7-11(10)16-12-8-5-9-13(14(12)15)18(19)20/h3-9H,1-2H3
InChIKey
YANLHQUXQQOLPT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-nitroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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

literature stripe

Patent stripe

patents stripe