CID 9588812

Brn 5832568

Structural Information

Molecular Formula
C22H32N2O3
SMILES
CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OC(=O)N2CCC=C(C2)/C=N/OC
InChI
InChI=1S/C22H32N2O3/c1-21(2,3)16-22(4,5)18-9-11-19(12-10-18)27-20(25)24-13-7-8-17(15-24)14-23-26-6/h8-12,14H,7,13,15-16H2,1-6H3/b23-14+
InChIKey
WPQXULDASWLEAH-OEAKJJBVSA-N
Compound name
[4-(2,4,4-trimethylpentan-2-yl)phenyl] 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2413 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.24858 193.7
[M+Na]+ 395.23052 197.3
[M-H]- 371.23402 199.3
[M+NH4]+ 390.27512 205.0
[M+K]+ 411.20446 194.9
[M+H-H2O]+ 355.23856 184.7
[M+HCOO]- 417.23950 210.5
[M+CH3COO]- 431.25515 222.6
[M+Na-2H]- 393.21597 196.1
[M]+ 372.24075 196.2
[M]- 372.24185 196.2
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.