CID 135699308

(2-hydroxy-4-(octadecyloxy)phenyl)(phenyl)methanone oxime

Structural Information

Molecular Formula
C31H47NO3
SMILES
CCCCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)/C(=N/O)/C2=CC=CC=C2)O
InChI
InChI=1S/C31H47NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-35-28-23-24-29(30(33)26-28)31(32-34)27-21-18-17-19-22-27/h17-19,21-24,26,33-34H,2-16,20,25H2,1H3/b32-31+
InChIKey
HHLQINDAWIHBOT-QNEJGDQOSA-N
Compound name
2-[(E)-N-hydroxy-C-phenylcarbonimidoyl]-5-octadecoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.3556 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.36288 228.6
[M+Na]+ 504.34482 227.7
[M-H]- 480.34832 230.6
[M+NH4]+ 499.38942 234.7
[M+K]+ 520.31876 220.9
[M+H-H2O]+ 464.35286 217.4
[M+HCOO]- 526.35380 246.2
[M+CH3COO]- 540.36945 242.5
[M+Na-2H]- 502.33027 224.8
[M]+ 481.35505 234.4
[M]- 481.35615 234.4
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.