CID 208710

2,4-dinitro-5-((p-(ethyl(2-iodoethyl)amino)benzyl)amino)benzamide

Structural Information

Molecular Formula
C18H20IN5O5
SMILES
CCN(CCI)C1=CC=C(C=C1)CNC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H20IN5O5/c1-2-22(8-7-19)13-5-3-12(4-6-13)11-21-15-9-14(18(20)25)16(23(26)27)10-17(15)24(28)29/h3-6,9-10,21H,2,7-8,11H2,1H3,(H2,20,25)
InChIKey
ZGEDRYNLSZDOHJ-UHFFFAOYSA-N
Compound name
5-[[4-[ethyl(2-iodoethyl)amino]phenyl]methylamino]-2,4-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.0509 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.05818 207.1
[M+Na]+ 536.04012 211.2
[M+NH4]+ 531.08472 213.9
[M+K]+ 552.01406 217.3
[M-H]- 512.04362 202.8
[M+Na-2H]- 534.02557 201.5
[M]+ 513.05035 208.0
[M]- 513.05145 208.0
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.