CID 36258

32869-01-5

Structural Information

Molecular Formula
C18H20ClN5O5
SMILES
CCN(CC(C)Cl)C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H20ClN5O5/c1-3-22(10-11(2)19)13-6-4-12(5-7-13)21-15-8-14(18(20)25)16(23(26)27)9-17(15)24(28)29/h4-9,11,21H,3,10H2,1-2H3,(H2,20,25)
InChIKey
FNSSTIIVLDFFDF-UHFFFAOYSA-N
Compound name
5-[4-[2-chloropropyl(ethyl)amino]anilino]-2,4-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.1153 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12258 203.4
[M+Na]+ 444.10452 208.1
[M+NH4]+ 439.14912 210.9
[M+K]+ 460.07846 215.0
[M-H]- 420.10802 199.0
[M+Na-2H]- 442.08997 198.0
[M]+ 421.11475 204.6
[M]- 421.11585 204.6
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.