CID 3078405

120978-26-9

Structural Information

Molecular Formula
C17H16Cl2N2O2
SMILES
C1CN1C(C2=CC=C(C=C2)Cl)C(C(=O)NC3=CC=CC=C3Cl)O
InChI
InChI=1S/C17H16Cl2N2O2/c18-12-7-5-11(6-8-12)15(21-9-10-21)16(22)17(23)20-14-4-2-1-3-13(14)19/h1-8,15-16,22H,9-10H2,(H,20,23)
InChIKey
QIAVHVVACZHYSP-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)-N-(2-chlorophenyl)-3-(4-chlorophenyl)-2-hydroxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.05887 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.066146 167.6
[M+Na]+ 373.048088 175.2
[M-H]- 349.051594 173.9
[M+NH4]+ 368.092693 174.8
[M+K]+ 389.022028 168.4
[M+H-H2O]+ 333.056130 160.6
[M+HCOO]- 395.057071 178.7
[M+CH3COO]- 409.072721 212.0
[M+Na-2H]- 371.033536 169.3
[M]+ 350.05832142 171.5
[M]- 350.05941858 171.5
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.