CID 24845182

102132-06-9

Structural Information

Molecular Formula
C23H35N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC(=C(C=C2)OCC=C)OC)C
InChI
InChI=1S/C23H35N3O3/c1-7-13-29-19-10-9-17(14-20(19)28-6)16-24-11-8-12-25-21(27)18-15-22(2,3)26-23(18,4)5/h7,9-10,14-15,24,26H,1,8,11-13,16H2,2-6H3,(H,25,27)
InChIKey
BNHQQRHQRIBAIY-UHFFFAOYSA-N
Compound name
N-[3-[(3-methoxy-4-prop-2-enoxyphenyl)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

401.26785 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.27513 196.6
[M+Na]+ 424.25707 201.6
[M-H]- 400.26057 200.3
[M+NH4]+ 419.30167 211.2
[M+K]+ 440.23101 197.0
[M+H-H2O]+ 384.26511 189.4
[M+HCOO]- 446.26605 216.6
[M+CH3COO]- 460.28170 228.0
[M+Na-2H]- 422.24252 196.5
[M]+ 401.26730 200.1
[M]- 401.26840 200.1
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.