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]+ 305.23360 171.6
[M+Na]+ 327.21554 176.7
[M-H]- 303.21904 173.3
[M+NH4]+ 322.26014 189.5
[M+K]+ 343.18948 172.1
[M+H-H2O]+ 287.22358 164.7
[M+HCOO]- 349.22452 191.2
[M+CH3COO]- 363.24017 204.7
[M+Na-2H]- 325.20099 172.8
[M]+ 304.22577 169.5
[M]- 304.22687 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.