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 164.3
[M+Na]+ 274.18899 169.3
[M-H]- 250.19249 168.0
[M+NH4]+ 269.23359 182.3
[M+K]+ 290.16293 169.0
[M+H-H2O]+ 234.19703 156.8
[M+HCOO]- 296.19797 186.6
[M+CH3COO]- 310.21362 207.8
[M+Na-2H]- 272.17444 162.5
[M]+ 251.19922 166.5
[M]- 251.20032 166.5
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.