CID 208616

Brn 2858242

Structural Information

Molecular Formula
C16H27N3O
SMILES
CCN(CC)CCCC(C)NC(=O)C1=CC=CC=C1N
InChI
InChI=1S/C16H27N3O/c1-4-19(5-2)12-8-9-13(3)18-16(20)14-10-6-7-11-15(14)17/h6-7,10-11,13H,4-5,8-9,12,17H2,1-3H3,(H,18,20)
InChIKey
IJAHKOGOMIDPLJ-UHFFFAOYSA-N
Compound name
2-amino-N-[5-(diethylamino)pentan-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.21542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.22270 171.8
[M+Na]+ 300.20464 174.4
[M-H]- 276.20814 175.3
[M+NH4]+ 295.24924 187.3
[M+K]+ 316.17858 172.9
[M+H-H2O]+ 260.21268 163.6
[M+HCOO]- 322.21362 195.3
[M+CH3COO]- 336.22927 213.5
[M+Na-2H]- 298.19009 172.0
[M]+ 277.21487 171.9
[M]- 277.21597 171.9
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.