CID 24845240

Brn 5980987

Structural Information

Molecular Formula
C19H29N3O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=CC=C2O)C
InChI
InChI=1S/C19H29N3O2/c1-18(2)12-15(19(3,4)22-18)17(24)21-11-7-10-20-13-14-8-5-6-9-16(14)23/h5-6,8-9,12,20,22-23H,7,10-11,13H2,1-4H3,(H,21,24)
InChIKey
TXOPBDAHVJHDEN-UHFFFAOYSA-N
Compound name
N-[3-[(2-hydroxyphenyl)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

331.22598 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23326 180.2
[M+Na]+ 354.21520 188.3
[M+NH4]+ 349.25980 188.3
[M+K]+ 370.18914 180.8
[M-H]- 330.21870 182.1
[M+Na-2H]- 352.20065 186.9
[M]+ 331.22543 181.8
[M]- 331.22653 181.8
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.