CID 65847

Pentisomide

Structural Information

Molecular Formula
C19H33N3O
SMILES
CC(C)CC(CCN(C(C)C)C(C)C)(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C19H33N3O/c1-14(2)13-19(18(20)23,17-9-7-8-11-21-17)10-12-22(15(3)4)16(5)6/h7-9,11,14-16H,10,12-13H2,1-6H3,(H2,20,23)
InChIKey
ZZOZYGHXNQPIPS-UHFFFAOYSA-N
Compound name
2-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-2-pyridin-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

41
References

196
Patents

319.26236 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.269636 183.8
[M+Na]+ 342.251578 185.1
[M-H]- 318.255084 185.6
[M+NH4]+ 337.296183 196.2
[M+K]+ 358.225518 184.2
[M+H-H2O]+ 302.259620 175.5
[M+HCOO]- 364.260561 200.6
[M+CH3COO]- 378.276211 221.6
[M+Na-2H]- 340.237026 181.8
[M]+ 319.26181142 184.4
[M]- 319.26290858 184.4
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

patents stripe