CID 39591

50295-18-6

Structural Information

Molecular Formula
C16H25BrN2O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(C)CCCCCBr
InChI
InChI=1S/C16H25BrN2O/c1-13-8-7-9-14(2)16(13)18-15(20)12-19(3)11-6-4-5-10-17/h7-9H,4-6,10-12H2,1-3H3,(H,18,20)
InChIKey
SQHXMRLRMKNITN-UHFFFAOYSA-N
Compound name
2-[5-bromopentyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.11502 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.12230 176.5
[M+Na]+ 363.10424 184.1
[M-H]- 339.10774 182.9
[M+NH4]+ 358.14884 193.9
[M+K]+ 379.07818 172.5
[M+H-H2O]+ 323.11228 173.6
[M+HCOO]- 385.11322 197.7
[M+CH3COO]- 399.12887 217.3
[M+Na-2H]- 361.08969 178.7
[M]+ 340.11447 197.4
[M]- 340.11557 197.4
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.