CID 132429

Debcadb

Structural Information

Molecular Formula
C15H21Cl2N5O5
SMILES
CN(C)CCNC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N(CCCl)CCCl
InChI
InChI=1S/C15H21Cl2N5O5/c1-19(2)8-5-18-15(23)11-9-13(20(6-3-16)7-4-17)14(22(26)27)10-12(11)21(24)25/h9-10H,3-8H2,1-2H3,(H,18,23)
InChIKey
KHXWXJZPAQGKDJ-UHFFFAOYSA-N
Compound name
5-[bis(2-chloroethyl)amino]-N-[2-(dimethylamino)ethyl]-2,4-dinitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

421.09198 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.09926 201.8
[M+Na]+ 444.08120 206.1
[M+NH4]+ 439.12580 209.0
[M+K]+ 460.05514 213.1
[M-H]- 420.08470 197.0
[M+Na-2H]- 442.06665 196.0
[M]+ 421.09143 202.8
[M]- 421.09253 202.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.