CID 24845235

102132-04-7

Structural Information

Molecular Formula
C20H31N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC(=C(C=C2)O)OC)C
InChI
InChI=1S/C20H31N3O3/c1-19(2)12-15(20(3,4)23-19)18(25)22-10-6-9-21-13-14-7-8-16(24)17(11-14)26-5/h7-8,11-12,21,23-24H,6,9-10,13H2,1-5H3,(H,22,25)
InChIKey
LNVWHWVBFIZISY-UHFFFAOYSA-N
Compound name
N-[3-[(4-hydroxy-3-methoxyphenyl)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

361.23654 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.24382 185.5
[M+Na]+ 384.22576 191.1
[M-H]- 360.22926 188.4
[M+NH4]+ 379.27036 201.1
[M+K]+ 400.19970 186.9
[M+H-H2O]+ 344.23380 179.1
[M+HCOO]- 406.23474 204.8
[M+CH3COO]- 420.25039 217.7
[M+Na-2H]- 382.21121 186.4
[M]+ 361.23599 186.8
[M]- 361.23709 186.8
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.