CID 14306936

93823-83-7

Structural Information

Molecular Formula
C19H25Cl2N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCNC(=O)COC2=C(C=C(C=C2)Cl)Cl)C
InChI
InChI=1S/C19H25Cl2N3O3/c1-18(2)10-13(19(3,4)24-18)17(26)23-8-7-22-16(25)11-27-15-6-5-12(20)9-14(15)21/h5-6,9-10,24H,7-8,11H2,1-4H3,(H,22,25)(H,23,26)
InChIKey
CWKWFQMULQDHGV-UHFFFAOYSA-N
Compound name
N-[2-[[2-(2,4-dichlorophenoxy)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

413.1273 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.13458 191.5
[M+Na]+ 436.11652 199.2
[M-H]- 412.12002 195.4
[M+NH4]+ 431.16112 207.0
[M+K]+ 452.09046 192.9
[M+H-H2O]+ 396.12456 186.9
[M+HCOO]- 458.12550 202.6
[M+CH3COO]- 472.14115 223.9
[M+Na-2H]- 434.10197 191.2
[M]+ 413.12675 196.2
[M]- 413.12785 196.2
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.