CID 209877

20675-52-9

Structural Information

Molecular Formula
C16H29N3O
SMILES
CC1=CC=C(N1NC(=O)CN(CC(C)C)CC(C)C)C
InChI
InChI=1S/C16H29N3O/c1-12(2)9-18(10-13(3)4)11-16(20)17-19-14(5)7-8-15(19)6/h7-8,12-13H,9-11H2,1-6H3,(H,17,20)
InChIKey
BMWIHQPJQHZCMD-UHFFFAOYSA-N
Compound name
2-[bis(2-methylpropyl)amino]-N-(2,5-dimethylpyrrol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.23105 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.23833 173.6
[M+Na]+ 302.22027 177.7
[M-H]- 278.22377 176.9
[M+NH4]+ 297.26487 190.5
[M+K]+ 318.19421 177.0
[M+H-H2O]+ 262.22831 165.7
[M+HCOO]- 324.22925 195.2
[M+CH3COO]- 338.24490 213.7
[M+Na-2H]- 300.20572 170.7
[M]+ 279.23050 176.5
[M]- 279.23160 176.5
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.