CID 209858

Brn 1688480

Structural Information

Molecular Formula
C20H37N3O
SMILES
CCCCCCN(CCCCCC)CC(=O)NN1C(=CC=C1C)C
InChI
InChI=1S/C20H37N3O/c1-5-7-9-11-15-22(16-12-10-8-6-2)17-20(24)21-23-18(3)13-14-19(23)4/h13-14H,5-12,15-17H2,1-4H3,(H,21,24)
InChIKey
USSNYTDOXNWLMH-UHFFFAOYSA-N
Compound name
2-(dihexylamino)-N-(2,5-dimethylpyrrol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.29367 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.30095 190.9
[M+Na]+ 358.28289 193.7
[M-H]- 334.28639 193.2
[M+NH4]+ 353.32749 205.6
[M+K]+ 374.25683 191.0
[M+H-H2O]+ 318.29093 181.9
[M+HCOO]- 380.29187 213.2
[M+CH3COO]- 394.30752 223.9
[M+Na-2H]- 356.26834 188.3
[M]+ 335.29312 196.5
[M]- 335.29422 196.5
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.