CID 964414

N-(4-isopropylbenzylidene)-4-chloroaniline

Structural Information

Molecular Formula
C16H16ClN
SMILES
CC(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H16ClN/c1-12(2)14-5-3-13(4-6-14)11-18-16-9-7-15(17)8-10-16/h3-12H,1-2H3
InChIKey
AACSPOKEGJJNNN-UHFFFAOYSA-N
Compound name
N-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.09714 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.10442 158.9
[M+Na]+ 280.08636 167.1
[M-H]- 256.08986 166.8
[M+NH4]+ 275.13096 177.2
[M+K]+ 296.06030 161.5
[M+H-H2O]+ 240.09440 151.8
[M+HCOO]- 302.09534 179.7
[M+CH3COO]- 316.11099 200.8
[M+Na-2H]- 278.07181 163.5
[M]+ 257.09659 161.5
[M]- 257.09769 161.5
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.