CID 36322

33084-37-6

Structural Information

Molecular Formula
C17H18ClN5O5
SMILES
CCN(CCCl)C1=CC=C(C=C1)NC2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C17H18ClN5O5/c1-2-21(8-7-18)12-5-3-11(4-6-12)20-14-9-13(17(19)24)15(22(25)26)10-16(14)23(27)28/h3-6,9-10,20H,2,7-8H2,1H3,(H2,19,24)
InChIKey
HMZZMBXJUXCVSL-UHFFFAOYSA-N
Compound name
5-[4-[2-chloroethyl(ethyl)amino]anilino]-2,4-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.09964 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.10692 199.5
[M+Na]+ 430.08886 204.2
[M+NH4]+ 425.13346 207.0
[M+K]+ 446.06280 211.3
[M-H]- 406.09236 195.0
[M+Na-2H]- 428.07431 198.7
[M]+ 407.09909 200.6
[M]- 407.10019 200.6
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.