CID 217342

Brn 2932711

Structural Information

Molecular Formula
C36H38Cl4N4O3
SMILES
C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)N(CCCl)CCCl
InChI
InChI=1S/C36H38Cl4N4O3/c37-17-21-43(22-18-38)31-9-1-27(2-10-31)25-35(45)41-29-5-13-33(14-6-29)47-34-15-7-30(8-16-34)42-36(46)26-28-3-11-32(12-4-28)44(23-19-39)24-20-40/h1-16H,17-26H2,(H,41,45)(H,42,46)
InChIKey
YNGCGXRNAXFFHT-UHFFFAOYSA-N
Compound name
2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[4-[4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]phenoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

714.1698 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.17708 271.7
[M+Na]+ 737.15902 284.6
[M+NH4]+ 732.20362 276.6
[M+K]+ 753.13296 272.3
[M-H]- 713.16252 279.7
[M+Na-2H]- 735.14447 279.1
[M]+ 714.16925 276.9
[M]- 714.17035 276.9
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.