CID 28235

A 1414

Structural Information

Molecular Formula
C18H29BrN2O
SMILES
CCCCN(CCCC)CC(=O)NC1=C(C=C(C=C1C)Br)C
InChI
InChI=1S/C18H29BrN2O/c1-5-7-9-21(10-8-6-2)13-17(22)20-18-14(3)11-16(19)12-15(18)4/h11-12H,5-10,13H2,1-4H3,(H,20,22)
InChIKey
XOHBSQBYIWTWOQ-UHFFFAOYSA-N
Compound name
N-(4-bromo-2,6-dimethylphenyl)-2-(dibutylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14633 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15361 185.1
[M+Na]+ 391.13555 192.7
[M-H]- 367.13905 191.5
[M+NH4]+ 386.18015 201.7
[M+K]+ 407.10949 180.7
[M+H-H2O]+ 351.14359 182.0
[M+HCOO]- 413.14453 205.6
[M+CH3COO]- 427.16018 224.1
[M+Na-2H]- 389.12100 185.6
[M]+ 368.14578 207.0
[M]- 368.14688 207.0
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.