CID 72768

20627-27-4

Structural Information

Molecular Formula

C₁₄H₂₁N₃O

SMILES

CC1=CC=C(N1NC(=O)CN(CC=C)CC=C)C

InChI

InChI=1S/C14H21N3O/c1-5-9-16(10-6-2)11-14(18)15-17-12(3)7-8-13(17)4/h5-8H,1-2,9-11H2,3-4H3,(H,15,18)

InChIKey

LJJAJDMZXHQKFD-UHFFFAOYSA-N

Compound name

2-[bis(prop-2-enyl)amino]-N-(2,5-dimethylpyrrol-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 247.16846 Da
Monoisotopic Mass: 2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.175736	161.1
[M+Na]+	270.157678	167.1
[M-H]-	246.161184	164.6
[M+NH4]+	265.202283	179.2
[M+K]+	286.131618	164.6
[M+H-H2O]+	230.165720	153.4
[M+HCOO]-	292.166661	185.8
[M+CH3COO]-	306.182311	204.2
[M+Na-2H]-	268.143126	161.7
[M]+	247.16791142	163.1
[M]-	247.16900858	163.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.