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]+ 376.25948 189.2
[M+Na]+ 398.24142 194.8
[M-H]- 374.24492 193.3
[M+NH4]+ 393.28602 205.0
[M+K]+ 414.21536 191.2
[M+H-H2O]+ 358.24946 182.3
[M+HCOO]- 420.25040 209.7
[M+CH3COO]- 434.26605 222.8
[M+Na-2H]- 396.22687 190.1
[M]+ 375.25165 192.7
[M]- 375.25275 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.