CID 3606218

Bis(4-chloro-2-methylphenyl) n,n'-(4-methyl-1,3-phenylene)biscarbamate

Structural Information

Molecular Formula
C23H20Cl2N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OC2=C(C=C(C=C2)Cl)C)NC(=O)OC3=C(C=C(C=C3)Cl)C
InChI
InChI=1S/C23H20Cl2N2O4/c1-13-4-7-18(26-22(28)30-20-8-5-16(24)10-14(20)2)12-19(13)27-23(29)31-21-9-6-17(25)11-15(21)3/h4-12H,1-3H3,(H,26,28)(H,27,29)
InChIKey
ZDBMJNJWVBSBMA-UHFFFAOYSA-N
Compound name
(4-chloro-2-methylphenyl) N-[3-[(4-chloro-2-methylphenoxy)carbonylamino]-4-methylphenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.08002 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.08730 206.7
[M+Na]+ 481.06924 215.2
[M-H]- 457.07274 216.5
[M+NH4]+ 476.11384 216.6
[M+K]+ 497.04318 209.4
[M+H-H2O]+ 441.07728 198.5
[M+HCOO]- 503.07822 221.0
[M+CH3COO]- 517.09387 235.4
[M+Na-2H]- 479.05469 205.7
[M]+ 458.07947 214.3
[M]- 458.08057 214.3
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.