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 172.2
[M+Na]+ 302.22027 179.3
[M+NH4]+ 297.26487 178.0
[M+K]+ 318.19421 176.7
[M-H]- 278.22377 172.9
[M+Na-2H]- 300.20572 174.2
[M]+ 279.23050 172.9
[M]- 279.23160 172.9
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.