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]+ 339.181576 177.3
[M+Na]+ 361.163518 182.9
[M-H]- 337.167024 182.3
[M+NH4]+ 356.208123 190.6
[M+K]+ 377.137458 174.7
[M+H-H2O]+ 321.171560 172.0
[M+HCOO]- 383.172501 201.3
[M+CH3COO]- 397.188151 216.9
[M+Na-2H]- 359.148966 187.0
[M]+ 338.17375142 179.5
[M]- 338.17484858 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.