CID 135921769

104775-16-8

Structural Information

Molecular Formula
C22H25Cl2NO3
SMILES
CCC(CC)(CC(=O)O)CN=C(C1=CC=C(C=C1)Cl)C2=C(C(=CC(=C2)Cl)C)O
InChI
InChI=1S/C22H25Cl2NO3/c1-4-22(5-2,12-19(26)27)13-25-20(15-6-8-16(23)9-7-15)18-11-17(24)10-14(3)21(18)28/h6-11,28H,4-5,12-13H2,1-3H3,(H,26,27)
InChIKey
CJBHMWSHAPACRZ-UHFFFAOYSA-N
Compound name
3-[[[(5-chloro-2-hydroxy-3-methylphenyl)-(4-chlorophenyl)methylidene]amino]methyl]-3-ethylpentanoic acid
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 203.1
[M+NH4]+ 439.15497 209.5
[M+K]+ 460.08431 198.2
[M+H-H2O]+ 404.11841 192.3
[M+HCOO]- 466.11935 207.6
[M+CH3COO]- 480.13500 226.6
[M+Na-2H]- 442.09582 196.9
[M]+ 421.12060 204.2
[M]- 421.12170 204.2
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.