CID 20148689

93969-07-4

Structural Information

Molecular Formula
C17H23N3O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NC(C2=CC=CC=C2)C(=O)N)C
InChI
InChI=1S/C17H23N3O2/c1-16(2)10-12(17(3,4)20-16)15(22)19-13(14(18)21)11-8-6-5-7-9-11/h5-10,13,20H,1-4H3,(H2,18,21)(H,19,22)
InChIKey
XQYSKKFIGOKZRM-UHFFFAOYSA-N
Compound name
N-(2-amino-2-oxo-1-phenylethyl)-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

301.17902 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.18630 171.0
[M+Na]+ 324.16824 178.7
[M+NH4]+ 319.21284 179.1
[M+K]+ 340.14218 173.0
[M-H]- 300.17174 172.6
[M+Na-2H]- 322.15369 177.8
[M]+ 301.17847 172.4
[M]- 301.17957 172.4
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

patents stripe