CID 54230357

(4-chlorophenyl)cyclopropylmethanone o-[(4-aminophenyl)methyl]oxime

Structural Information

Molecular Formula
C17H17ClN2O
SMILES
C1CC1C(=NOCC2=CC=C(C=C2)N)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H17ClN2O/c18-15-7-5-14(6-8-15)17(13-3-4-13)20-21-11-12-1-9-16(19)10-2-12/h1-2,5-10,13H,3-4,11,19H2
InChIKey
QIUXDKQULXXHIG-UHFFFAOYSA-N
Compound name
4-[[[(4-chlorophenyl)-cyclopropylmethylidene]amino]oxymethyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

300.10294 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.11022 162.6
[M+Na]+ 323.09216 170.9
[M-H]- 299.09566 173.2
[M+NH4]+ 318.13676 173.6
[M+K]+ 339.06610 165.1
[M+H-H2O]+ 283.10020 154.9
[M+HCOO]- 345.10114 184.6
[M+CH3COO]- 359.11679 210.7
[M+Na-2H]- 321.07761 167.0
[M]+ 300.10239 166.4
[M]- 300.10349 166.4
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

patents stripe