CID 24845276

93798-81-3

Structural Information

Molecular Formula
C19H29N3O
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=CC=C2)C
InChI
InChI=1S/C19H29N3O/c1-18(2)13-16(19(3,4)22-18)17(23)21-12-8-11-20-14-15-9-6-5-7-10-15/h5-7,9-10,13,20,22H,8,11-12,14H2,1-4H3,(H,21,23)
InChIKey
YUVZEQPKYBUCSZ-UHFFFAOYSA-N
Compound name
N-[3-(benzylamino)propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

315.23105 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.238326 176.2
[M+Na]+ 338.220268 181.3
[M-H]- 314.223774 180.0
[M+NH4]+ 333.264873 194.0
[M+K]+ 354.194208 176.6
[M+H-H2O]+ 298.228310 169.1
[M+HCOO]- 360.229251 197.1
[M+CH3COO]- 374.244901 210.1
[M+Na-2H]- 336.205716 178.8
[M]+ 315.23050142 175.3
[M]- 315.23159858 175.3
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.