CID 28245

C-516

Structural Information

Molecular Formula
C19H22N4O2
SMILES
CCN(CC)CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O2/c1-3-22(4-2)13-12-20-19-14-8-5-6-9-15(14)21-16-10-7-11-17(18(16)19)23(24)25/h5-11H,3-4,12-13H2,1-2H3,(H,20,21)
InChIKey
KQXNZWRSJOPJHO-UHFFFAOYSA-N
Compound name
N',N'-diethyl-N-(1-nitroacridin-9-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1743 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18158 177.3
[M+Na]+ 361.16352 182.9
[M-H]- 337.16702 182.3
[M+NH4]+ 356.20812 190.6
[M+K]+ 377.13746 174.7
[M+H-H2O]+ 321.17156 172.0
[M+HCOO]- 383.17250 201.3
[M+CH3COO]- 397.18815 216.9
[M+Na-2H]- 359.14897 187.0
[M]+ 338.17375 179.5
[M]- 338.17485 179.5
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.