CID 103595

52122-75-5

Structural Information

Molecular Formula
C23H31NO2
SMILES
CCCCCCCCCC1=CC(=C(C=C1)O)C(=NO)CC2=CC=CC=C2
InChI
InChI=1S/C23H31NO2/c1-2-3-4-5-6-7-9-14-20-15-16-23(25)21(17-20)22(24-26)18-19-12-10-8-11-13-19/h8,10-13,15-17,25-26H,2-7,9,14,18H2,1H3
InChIKey
YCBRZJYZKWMUBG-UHFFFAOYSA-N
Compound name
2-(C-benzyl-N-hydroxycarbonimidoyl)-4-nonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

353.23547 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24275 190.7
[M+Na]+ 376.22469 193.8
[M-H]- 352.22819 194.6
[M+NH4]+ 371.26929 202.5
[M+K]+ 392.19863 187.9
[M+H-H2O]+ 336.23273 181.6
[M+HCOO]- 398.23367 211.1
[M+CH3COO]- 412.24932 217.1
[M+Na-2H]- 374.21014 191.1
[M]+ 353.23492 192.5
[M]- 353.23602 192.5
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

patents stripe