CID 125178

Nsc673789

Structural Information

Molecular Formula
C18H20N4O2
SMILES
CC(CN(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C18H20N4O2/c1-12(11-21(2)3)19-18-13-7-4-5-8-14(13)20-15-9-6-10-16(17(15)18)22(23)24/h4-10,12H,11H2,1-3H3,(H,19,20)
InChIKey
OMMVCTMDWJLPLM-UHFFFAOYSA-N
Compound name
1-N,1-N-dimethyl-2-N-(1-nitroacridin-9-yl)propane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

4
Patents

324.15863 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.165906 172.4
[M+Na]+ 347.147848 178.1
[M-H]- 323.151354 177.7
[M+NH4]+ 342.192453 186.2
[M+K]+ 363.121788 170.8
[M+H-H2O]+ 307.155890 167.6
[M+HCOO]- 369.156831 195.8
[M+CH3COO]- 383.172481 214.6
[M+Na-2H]- 345.133296 181.6
[M]+ 324.15808142 173.8
[M]- 324.15917858 173.8
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.