CID 44151499

Brn 5655812

Structural Information

Molecular Formula
C23H25Cl2N5O2
SMILES
COC1=CC=C(C=C1)C2=CN(C=N2)CC(=O)N/N=C/C3=CC=C(C=C3)N(CCCl)CCCl
InChI
InChI=1S/C23H25Cl2N5O2/c1-32-21-8-4-19(5-9-21)22-15-29(17-26-22)16-23(31)28-27-14-18-2-6-20(7-3-18)30(12-10-24)13-11-25/h2-9,14-15,17H,10-13,16H2,1H3,(H,28,31)/b27-14+
InChIKey
DFWBQZGOSISISQ-MZJWZYIUSA-N
Compound name
N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-methoxyphenyl)imidazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.13852 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.14580 212.7
[M+Na]+ 496.12774 225.3
[M+NH4]+ 491.17234 218.5
[M+K]+ 512.10168 217.9
[M-H]- 472.13124 218.4
[M+Na-2H]- 494.11319 220.9
[M]+ 473.13797 216.5
[M]- 473.13907 216.5
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.