CID 24845193

102132-01-4

Structural Information

Molecular Formula
C21H32N4O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=CC=C2OCC(=O)N)C
InChI
InChI=1S/C21H32N4O3/c1-20(2)12-16(21(3,4)25-20)19(27)24-11-7-10-23-13-15-8-5-6-9-17(15)28-14-18(22)26/h5-6,8-9,12,23,25H,7,10-11,13-14H2,1-4H3,(H2,22,26)(H,24,27)
InChIKey
ZBWRHJANUKDPMO-UHFFFAOYSA-N
Compound name
N-[3-[[2-(2-amino-2-oxoethoxy)phenyl]methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.24744 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.25472 192.2
[M+Na]+ 411.23666 195.9
[M-H]- 387.24016 195.4
[M+NH4]+ 406.28126 206.2
[M+K]+ 427.21060 192.3
[M+H-H2O]+ 371.24470 185.0
[M+HCOO]- 433.24564 212.2
[M+CH3COO]- 447.26129 226.6
[M+Na-2H]- 409.22211 192.2
[M]+ 388.24689 192.3
[M]- 388.24799 192.3
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.