CID 238991

6328-40-1

Structural Information

Molecular Formula
C20H22Cl2N2O4
SMILES
CC(C)OC(=O)NC1=CC(=C(C=C1)C2=C(C=C(C=C2)NC(=O)OC(C)C)Cl)Cl
InChI
InChI=1S/C20H22Cl2N2O4/c1-11(2)27-19(25)23-13-5-7-15(17(21)9-13)16-8-6-14(10-18(16)22)24-20(26)28-12(3)4/h5-12H,1-4H3,(H,23,25)(H,24,26)
InChIKey
ITFXPKXWOFSGIH-UHFFFAOYSA-N
Compound name
propan-2-yl N-[3-chloro-4-[2-chloro-4-(propan-2-yloxycarbonylamino)phenyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

424.09567 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.10295 196.5
[M+Na]+ 447.08489 203.0
[M-H]- 423.08839 202.9
[M+NH4]+ 442.12949 207.8
[M+K]+ 463.05883 198.7
[M+H-H2O]+ 407.09293 190.1
[M+HCOO]- 469.09387 209.0
[M+CH3COO]- 483.10952 229.9
[M+Na-2H]- 445.07034 193.9
[M]+ 424.09512 203.6
[M]- 424.09622 203.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.