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]+ 316.23833 177.6
[M+Na]+ 338.22027 186.3
[M+NH4]+ 333.26487 186.7
[M+K]+ 354.19421 177.8
[M-H]- 314.22377 180.5
[M+Na-2H]- 336.20572 185.5
[M]+ 315.23050 179.7
[M]- 315.23160 179.7
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.