CID 96785

20627-21-8

Structural Information

Molecular Formula
C14H25N3O
SMILES
CC1=CC=C(N1NC(=O)CN(C(C)C)C(C)C)C
InChI
InChI=1S/C14H25N3O/c1-10(2)16(11(3)4)9-14(18)15-17-12(5)7-8-13(17)6/h7-8,10-11H,9H2,1-6H3,(H,15,18)
InChIKey
LQCBYEADVVYUTE-UHFFFAOYSA-N
Compound name
N-(2,5-dimethylpyrrol-1-yl)-2-[di(propan-2-yl)amino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.19977 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.20705 163.4
[M+Na]+ 274.18899 170.9
[M+NH4]+ 269.23359 169.5
[M+K]+ 290.16293 168.8
[M-H]- 250.19249 164.2
[M+Na-2H]- 272.17444 165.9
[M]+ 251.19922 164.3
[M]- 251.20032 164.3
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.