CID 4087986

Bis(2-chloroethyl) n,n'-(methylenedi-4,1-phenylene)biscarbamate

Structural Information

Molecular Formula
C19H20Cl2N2O4
SMILES
C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)OCCCl)NC(=O)OCCCl
InChI
InChI=1S/C19H20Cl2N2O4/c20-9-11-26-18(24)22-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-19(25)27-12-10-21/h1-8H,9-13H2,(H,22,24)(H,23,25)
InChIKey
ILRJFWFKCLXWPR-UHFFFAOYSA-N
Compound name
2-chloroethyl N-[4-[[4-(2-chloroethoxycarbonylamino)phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.08002 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.08730 193.8
[M+Na]+ 433.06924 205.7
[M+NH4]+ 428.11384 199.8
[M+K]+ 449.04318 197.8
[M-H]- 409.07274 197.1
[M+Na-2H]- 431.05469 200.2
[M]+ 410.07947 196.8
[M]- 410.08057 196.8
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.