CID 24845209

102132-02-5

Structural Information

Molecular Formula
C21H33N3O3
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=C(C=C(C=C2)OC)OC)C
InChI
InChI=1S/C21H33N3O3/c1-20(2)13-17(21(3,4)24-20)19(25)23-11-7-10-22-14-15-8-9-16(26-5)12-18(15)27-6/h8-9,12-13,22,24H,7,10-11,14H2,1-6H3,(H,23,25)
InChIKey
UVWQGMJLTOOEGV-UHFFFAOYSA-N
Compound name
N-[3-[(2,4-dimethoxyphenyl)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

375.2522 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.259476 189.2
[M+Na]+ 398.241418 194.8
[M-H]- 374.244924 193.3
[M+NH4]+ 393.286023 205.0
[M+K]+ 414.215358 191.2
[M+H-H2O]+ 358.249460 182.3
[M+HCOO]- 420.250401 209.7
[M+CH3COO]- 434.266051 222.8
[M+Na-2H]- 396.226866 190.1
[M]+ 375.25165142 192.7
[M]- 375.25274858 192.7
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.