CID 24845292

93798-89-1

Structural Information

Molecular Formula
C17H28N4O
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=CN2)C
InChI
InChI=1S/C17H28N4O/c1-16(2)11-14(17(3,4)21-16)15(22)20-10-6-8-18-12-13-7-5-9-19-13/h5,7,9,11,18-19,21H,6,8,10,12H2,1-4H3,(H,20,22)
InChIKey
BIPYDKZHDAZJOB-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-(1H-pyrrol-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

304.22632 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.233596 171.6
[M+Na]+ 327.215538 176.7
[M-H]- 303.219044 173.3
[M+NH4]+ 322.260143 189.5
[M+K]+ 343.189478 172.1
[M+H-H2O]+ 287.223580 164.7
[M+HCOO]- 349.224521 191.2
[M+CH3COO]- 363.240171 204.7
[M+Na-2H]- 325.200986 172.8
[M]+ 304.22577142 169.5
[M]- 304.22686858 169.5
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.