CID 3079179

124500-16-9

Structural Information

Molecular Formula
C22H36ClN3O2
SMILES
CC(C)CN(CC(C)C)CC(CC(C1=CC=C(C=C1)Cl)O)C(=O)NN=C(C)C
InChI
InChI=1S/C22H36ClN3O2/c1-15(2)12-26(13-16(3)4)14-19(22(28)25-24-17(5)6)11-21(27)18-7-9-20(23)10-8-18/h7-10,15-16,19,21,27H,11-14H2,1-6H3,(H,25,28)
InChIKey
IDZKSFRPIZJXEW-UHFFFAOYSA-N
Compound name
2-[[bis(2-methylpropyl)amino]methyl]-4-(4-chlorophenyl)-4-hydroxy-N-(propan-2-ylideneamino)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.2496 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.25688 207.3
[M+Na]+ 432.23882 207.7
[M-H]- 408.24232 210.6
[M+NH4]+ 427.28342 218.3
[M+K]+ 448.21276 205.4
[M+H-H2O]+ 392.24686 199.8
[M+HCOO]- 454.24780 221.7
[M+CH3COO]- 468.26345 239.5
[M+Na-2H]- 430.22427 200.5
[M]+ 409.24905 211.3
[M]- 409.25015 211.3
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.