CID 4078763

N-(4-chlorobenzylidene)-2-morpholinoethylamine

Structural Information

Molecular Formula
C13H17ClN2O
SMILES
C1COCCN1CCN=CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C13H17ClN2O/c14-13-3-1-12(2-4-13)11-15-5-6-16-7-9-17-10-8-16/h1-4,11H,5-10H2
InChIKey
QXXMAICCQDCKQT-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.10294 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.11022 158.2
[M+Na]+ 275.09216 163.8
[M-H]- 251.09566 164.0
[M+NH4]+ 270.13676 173.4
[M+K]+ 291.06610 160.4
[M+H-H2O]+ 235.10020 149.8
[M+HCOO]- 297.10114 174.5
[M+CH3COO]- 311.11679 195.5
[M+Na-2H]- 273.07761 163.9
[M]+ 252.10239 157.9
[M]- 252.10349 157.9
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