CID 209857

20627-24-1

Structural Information

Molecular Formula
C18H33N3O
SMILES
CC1=CC=C(N1NC(=O)CN(CCC(C)C)CCC(C)C)C
InChI
InChI=1S/C18H33N3O/c1-14(2)9-11-20(12-10-15(3)4)13-18(22)19-21-16(5)7-8-17(21)6/h7-8,14-15H,9-13H2,1-6H3,(H,19,22)
InChIKey
OYFWSORRBDVNKU-UHFFFAOYSA-N
Compound name
2-[bis(3-methylbutyl)amino]-N-(2,5-dimethylpyrrol-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.26236 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.26964 182.9
[M+Na]+ 330.25158 186.1
[M-H]- 306.25508 185.8
[M+NH4]+ 325.29618 198.6
[M+K]+ 346.22552 184.9
[M+H-H2O]+ 290.25962 174.6
[M+HCOO]- 352.26056 203.8
[M+CH3COO]- 366.27621 219.7
[M+Na-2H]- 328.23703 178.9
[M]+ 307.26181 186.5
[M]- 307.26291 186.5
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.