CID 20761785

356068-86-5

Structural Information

Molecular Formula

C₁₄H₂₃N₃O₂

SMILES

CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=O)C

InChI

InChI=1S/C14H23N3O2/c1-5-17(6-2)8-7-15-14(19)13-10(3)12(9-18)16-11(13)4/h9,16H,5-8H2,1-4H3,(H,15,19)

InChIKey

BRZYBFNUINXZMJ-UHFFFAOYSA-N

Compound name

N-[2-(diethylamino)ethyl]-5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 227
Patents: 265.17902 Da
Monoisotopic Mass: 1.3
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]+	266.18630	165.7
[M+Na]+	288.16824	173.3
[M+NH4]+	283.21284	170.9
[M+K]+	304.14218	170.5
[M-H]-	264.17174	165.7
[M+Na-2H]-	286.15369	167.5
[M]+	265.17847	166.2
[M]-	265.17957	166.2

Literature stripe

literature stripe

Patent stripe

patents stripe