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 177.9
[M+Na]+ 361.16352 192.5
[M+NH4]+ 356.20812 186.2
[M+K]+ 377.13746 186.4
[M-H]- 337.16702 184.0
[M+Na-2H]- 359.14897 185.1
[M]+ 338.17375 181.7
[M]- 338.17485 181.7
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.