CID 14306938

93823-85-9

Structural Information

Molecular Formula
C20H28ClN3O3
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NCCNC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C20H28ClN3O3/c1-13-10-14(21)6-7-16(13)27-12-17(25)22-8-9-23-18(26)15-11-19(2,3)24-20(15,4)5/h6-7,10-11,24H,8-9,12H2,1-5H3,(H,22,25)(H,23,26)
InChIKey
XNQPJNMJUAXXMO-UHFFFAOYSA-N
Compound name
N-[2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]ethyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.18192 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18920 190.9
[M+Na]+ 416.17114 197.7
[M-H]- 392.17464 195.2
[M+NH4]+ 411.21574 206.7
[M+K]+ 432.14508 192.5
[M+H-H2O]+ 376.17918 185.3
[M+HCOO]- 438.18012 206.5
[M+CH3COO]- 452.19577 222.9
[M+Na-2H]- 414.15659 190.6
[M]+ 393.18137 194.7
[M]- 393.18247 194.7
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.