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 176.2
[M+Na]+ 338.22027 181.3
[M-H]- 314.22377 180.0
[M+NH4]+ 333.26487 194.0
[M+K]+ 354.19421 176.6
[M+H-H2O]+ 298.22831 169.1
[M+HCOO]- 360.22925 197.1
[M+CH3COO]- 374.24490 210.1
[M+Na-2H]- 336.20572 178.8
[M]+ 315.23050 175.3
[M]- 315.23160 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.