CID 3061924

80018-20-8

Structural Information

Molecular Formula
C27H37Cl2NO
SMILES
CCCCCCCCCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C27H37Cl2NO/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-30-27(23-16-13-14-17-25(23)29)24-21-22(28)18-19-26(24)31/h13-14,16-19,21,31H,2-12,15,20H2,1H3
InChIKey
QTZXDNFBRYRCHV-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-tetradecylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.22522 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.23250 218.0
[M+Na]+ 484.21444 222.1
[M-H]- 460.21794 221.8
[M+NH4]+ 479.25904 227.9
[M+K]+ 500.18838 212.5
[M+H-H2O]+ 444.22248 209.5
[M+HCOO]- 506.22342 228.7
[M+CH3COO]- 520.23907 237.5
[M+Na-2H]- 482.19989 214.6
[M]+ 461.22467 225.6
[M]- 461.22577 225.6
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.