CID 24845288

93798-84-6

Structural Information

Molecular Formula
C18H28N4O
SMILES
CC1(C=C(C(N1)(C)C)C(=O)NCCCNCC2=CC=CC=N2)C
InChI
InChI=1S/C18H28N4O/c1-17(2)12-15(18(3,4)22-17)16(23)21-11-7-9-19-13-14-8-5-6-10-20-14/h5-6,8,10,12,19,22H,7,9,11,13H2,1-4H3,(H,21,23)
InChIKey
QUJYQUJSZATSEA-UHFFFAOYSA-N
Compound name
2,2,5,5-tetramethyl-N-[3-(pyridin-2-ylmethylamino)propyl]-1H-pyrrole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

316.22632 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.23360 175.3
[M+Na]+ 339.21554 180.8
[M-H]- 315.21904 177.9
[M+NH4]+ 334.26014 191.7
[M+K]+ 355.18948 176.3
[M+H-H2O]+ 299.22358 167.4
[M+HCOO]- 361.22452 195.3
[M+CH3COO]- 375.24017 209.9
[M+Na-2H]- 337.20099 178.6
[M]+ 316.22577 174.6
[M]- 316.22687 174.6
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.