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]+ 224.175736 154.5
[M+Na]+ 246.157678 160.8
[M-H]- 222.161184 158.2
[M+NH4]+ 241.202283 173.7
[M+K]+ 262.131618 160.0
[M+H-H2O]+ 206.165720 147.0
[M+HCOO]- 268.166661 179.4
[M+CH3COO]- 282.182311 199.9
[M+Na-2H]- 244.143126 156.1
[M]+ 223.16791142 157.2
[M]- 223.16900858 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.