CID 3061921

2-(undecylimino-(2-chlorophenyl)methyl)-4-chlorophenol

Structural Information

Molecular Formula
C24H31Cl2NO
SMILES
CCCCCCCCCCCN=C(C1=CC=CC=C1Cl)C2=C(C=CC(=C2)Cl)O
InChI
InChI=1S/C24H31Cl2NO/c1-2-3-4-5-6-7-8-9-12-17-27-24(20-13-10-11-14-22(20)26)21-18-19(25)15-16-23(21)28/h10-11,13-16,18,28H,2-9,12,17H2,1H3
InChIKey
NQHSTSHQGGMKMK-UHFFFAOYSA-N
Compound name
4-chloro-2-[C-(2-chlorophenyl)-N-undecylcarbonimidoyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.17828 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.18556 204.7
[M+Na]+ 442.16750 210.2
[M-H]- 418.17100 209.2
[M+NH4]+ 437.21210 216.3
[M+K]+ 458.14144 201.2
[M+H-H2O]+ 402.17554 196.9
[M+HCOO]- 464.17648 216.4
[M+CH3COO]- 478.19213 228.9
[M+Na-2H]- 440.15295 203.0
[M]+ 419.17773 211.3
[M]- 419.17883 211.3
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.