CID 24845220

102132-21-8

Structural Information

Molecular Formula
C22H34N4O2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CNCCCNC(=O)C2=CC(NC2(C)C)(C)C
InChI
InChI=1S/C22H34N4O2/c1-15-9-7-10-16(2)19(15)25-18(27)14-23-11-8-12-24-20(28)17-13-21(3,4)26-22(17,5)6/h7,9-10,13,23,26H,8,11-12,14H2,1-6H3,(H,24,28)(H,25,27)
InChIKey
OGEFOIDZDABTGN-UHFFFAOYSA-N
Compound name
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

386.2682 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.27548 193.5
[M+Na]+ 409.25742 198.0
[M-H]- 385.26092 197.5
[M+NH4]+ 404.30202 208.4
[M+K]+ 425.23136 193.8
[M+H-H2O]+ 369.26546 186.6
[M+HCOO]- 431.26640 213.6
[M+CH3COO]- 445.28205 228.5
[M+Na-2H]- 407.24287 193.1
[M]+ 386.26765 193.8
[M]- 386.26875 193.8
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.