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 197.0
[M+Na]+ 444.10452 198.3
[M-H]- 420.10802 203.1
[M+NH4]+ 439.14912 204.4
[M+K]+ 460.07846 187.7
[M+H-H2O]+ 404.11256 197.2
[M+HCOO]- 466.11350 217.4
[M+CH3COO]- 480.12915 224.4
[M+Na-2H]- 442.08997 199.5
[M]+ 421.11475 195.7
[M]- 421.11585 195.7
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.