CID 3047484

Brn 0720952

Structural Information

Molecular Formula
C23H24N4O2
SMILES
CCN(CC)CCN1C2=CC=CC3=C2C(=CC=C3)N=C1C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C23H24N4O2/c1-3-25(4-2)15-16-26-21-14-8-10-17-9-7-12-19(22(17)21)24-23(26)18-11-5-6-13-20(18)27(28)29/h5-14H,3-4,15-16H2,1-2H3
InChIKey
XGKQNDRQAPAHPP-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[2-(2-nitrophenyl)perimidin-1-yl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.1899 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19718 192.4
[M+Na]+ 411.17912 208.7
[M+NH4]+ 406.22372 200.7
[M+K]+ 427.15306 201.6
[M-H]- 387.18262 199.4
[M+Na-2H]- 409.16457 200.0
[M]+ 388.18935 196.8
[M]- 388.19045 196.8
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.