CID 217343

Brn 2933208

Structural Information

Molecular Formula
C38H42Cl4N4O4
SMILES
C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)OCCOC3=CC=C(C=C3)NC(=O)CC4=CC=C(C=C4)N(CCCl)CCCl)N(CCCl)CCCl
InChI
InChI=1S/C38H42Cl4N4O4/c39-17-21-45(22-18-40)33-9-1-29(2-10-33)27-37(47)43-31-5-13-35(14-6-31)49-25-26-50-36-15-7-32(8-16-36)44-38(48)28-30-3-11-34(12-4-30)46(23-19-41)24-20-42/h1-16H,17-28H2,(H,43,47)(H,44,48)
InChIKey
QHEOBSMSUNYUIJ-UHFFFAOYSA-N
Compound name
2-[4-[bis(2-chloroethyl)amino]phenyl]-N-[4-[2-[4-[[2-[4-[bis(2-chloroethyl)amino]phenyl]acetyl]amino]phenoxy]ethoxy]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

758.19604 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 759.20332 280.5
[M+Na]+ 781.18526 292.5
[M+NH4]+ 776.22986 284.5
[M+K]+ 797.15920 280.3
[M-H]- 757.18876 288.0
[M+Na-2H]- 779.17071 287.1
[M]+ 758.19549 285.3
[M]- 758.19659 285.3
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.