CID 24845248

102131-89-5

Structural Information

Molecular Formula
C20H31N3O2
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=CC=C2OC)C
InChI
InChI=1S/C20H31N3O2/c1-19(2)13-16(20(3,4)23-19)18(24)22-12-8-11-21-14-15-9-6-7-10-17(15)25-5/h6-7,9-10,13,21,23H,8,11-12,14H2,1-5H3,(H,22,24)
InChIKey
ADINYVNBDPKVCL-UHFFFAOYSA-N
Compound name
N-[3-[(2-methoxyphenyl)methylamino]propyl]-2,2,5,5-tetramethyl-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.24164 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.24892 182.9
[M+Na]+ 368.23086 188.2
[M-H]- 344.23436 186.8
[M+NH4]+ 363.27546 199.6
[M+K]+ 384.20480 184.0
[M+H-H2O]+ 328.23890 175.9
[M+HCOO]- 390.23984 203.5
[M+CH3COO]- 404.25549 216.5
[M+Na-2H]- 366.21631 184.5
[M]+ 345.24109 184.1
[M]- 345.24219 184.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.