CID 209855

20627-19-4

Structural Information

Molecular Formula
C12H21N3O
SMILES
CCN(CC)CC(=O)NN1C(=CC=C1C)C
InChI
InChI=1S/C12H21N3O/c1-5-14(6-2)9-12(16)13-15-10(3)7-8-11(15)4/h7-8H,5-6,9H2,1-4H3,(H,13,16)
InChIKey
JILVGFUFPUCQFJ-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,5-dimethylpyrrol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.16846 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.17574 154.5
[M+Na]+ 246.15768 160.8
[M-H]- 222.16118 158.2
[M+NH4]+ 241.20228 173.7
[M+K]+ 262.13162 160.0
[M+H-H2O]+ 206.16572 147.0
[M+HCOO]- 268.16666 179.4
[M+CH3COO]- 282.18231 199.9
[M+Na-2H]- 244.14313 156.1
[M]+ 223.16791 157.2
[M]- 223.16901 157.2
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.