CID 3061926

80018-22-0

Structural Information

Molecular Formula
C29H41Cl2NO
SMILES
CCCCCCCCCCCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C29H41Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-22-32-29(25-18-15-16-19-27(25)31)26-23-24(30)20-21-28(26)33/h15-16,18-21,23,33H,2-14,17,22H2,1H3
InChIKey
XLVSIZSOKHPZHT-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-hexadecylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.25653 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.26381 226.8
[M+Na]+ 512.24575 230.0
[M-H]- 488.24925 230.2
[M+NH4]+ 507.29035 235.5
[M+K]+ 528.21969 219.9
[M+H-H2O]+ 472.25379 217.8
[M+HCOO]- 534.25473 236.7
[M+CH3COO]- 548.27038 243.2
[M+Na-2H]- 510.23120 222.3
[M]+ 489.25598 235.1
[M]- 489.25708 235.1
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.