CID 14400757

Brn 5649647

Structural Information

Molecular Formula
C22H22Cl3N5O
SMILES
C1=CC(=CC=C1/C=N/NC(=O)CN2C=C(N=C2)C3=CC=C(C=C3)Cl)N(CCCl)CCCl
InChI
InChI=1S/C22H22Cl3N5O/c23-9-11-30(12-10-24)20-7-1-17(2-8-20)13-27-28-22(31)15-29-14-21(26-16-29)18-3-5-19(25)6-4-18/h1-8,13-14,16H,9-12,15H2,(H,28,31)/b27-13+
InChIKey
LILIJXFPECAKJR-UVHMKAGCSA-N
Compound name
N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-[4-(4-chlorophenyl)imidazol-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.089 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.09628 211.8
[M+Na]+ 500.07822 225.2
[M+NH4]+ 495.12282 218.2
[M+K]+ 516.05216 216.7
[M-H]- 476.08172 217.4
[M+Na-2H]- 498.06367 220.0
[M]+ 477.08845 216.0
[M]- 477.08955 216.0
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.