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]+ 278.222696 171.8
[M+Na]+ 300.204638 174.4
[M-H]- 276.208144 175.3
[M+NH4]+ 295.249243 187.3
[M+K]+ 316.178578 172.9
[M+H-H2O]+ 260.212680 163.6
[M+HCOO]- 322.213621 195.3
[M+CH3COO]- 336.229271 213.5
[M+Na-2H]- 298.190086 172.0
[M]+ 277.21487142 171.9
[M]- 277.21596858 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

literature stripe

Patent stripe

No patent data available for this compound.