CID 135704113

Scs 149

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CC1=CC=CC=C1OCC(CN(C(C)C)/N=C/NC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C21H27N3O3/c1-16(2)24(23-15-22-21(26)18-10-5-4-6-11-18)13-19(25)14-27-20-12-8-7-9-17(20)3/h4-12,15-16,19,25H,13-14H2,1-3H3,(H,22,23,26)
InChIKey
CQINCUVDUJRJSB-UHFFFAOYSA-N
Compound name
N-[(E)-[[2-hydroxy-3-(2-methylphenoxy)propyl]-propan-2-ylhydrazinylidene]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.20523 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.21251 191.8
[M+Na]+ 392.19445 193.1
[M-H]- 368.19795 198.5
[M+NH4]+ 387.23905 202.8
[M+K]+ 408.16839 191.5
[M+H-H2O]+ 352.20249 181.7
[M+HCOO]- 414.20343 215.2
[M+CH3COO]- 428.21908 228.4
[M+Na-2H]- 390.17990 192.3
[M]+ 369.20468 193.5
[M]- 369.20578 193.5
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.