CID 135804044

104775-13-5

Structural Information

Molecular Formula
C22H25Cl2NO3
SMILES
CC1=CC(=CC(=C1O)C(=NCCC(C)CCC(=O)OC)C2=CC=C(C=C2)Cl)Cl
InChI
InChI=1S/C22H25Cl2NO3/c1-14(4-9-20(26)28-3)10-11-25-21(16-5-7-17(23)8-6-16)19-13-18(24)12-15(2)22(19)27/h5-8,12-14,27H,4,9-11H2,1-3H3
InChIKey
WFYVKGWGHLGDNQ-UHFFFAOYSA-N
Compound name
methyl 6-[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]-4-methylhexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.12115 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.12843 198.4
[M+Na]+ 444.11037 205.3
[M-H]- 420.11387 204.3
[M+NH4]+ 439.15497 210.2
[M+K]+ 460.08431 198.9
[M+H-H2O]+ 404.11841 191.7
[M+HCOO]- 466.11935 209.8
[M+CH3COO]- 480.13500 228.7
[M+Na-2H]- 442.09582 195.3
[M]+ 421.12060 206.0
[M]- 421.12170 206.0
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.