CID 3087793

116356-06-0

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16Cl2N2O2/c19-13-3-1-12(2-4-13)17(23)11-16(22-9-10-22)18(24)21-15-7-5-14(20)6-8-15/h1-8,16H,9-11H2,(H,21,24)
InChIKey
JNRAPYYEFYIKRM-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-N,4-bis(4-chlorophenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.05887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.066146 173.5
[M+Na]+ 385.048088 181.3
[M-H]- 361.051594 180.9
[M+NH4]+ 380.092693 180.8
[M+K]+ 401.022028 174.4
[M+H-H2O]+ 345.056130 165.8
[M+HCOO]- 407.057071 185.6
[M+CH3COO]- 421.072721 216.3
[M+Na-2H]- 383.033536 174.7
[M]+ 362.05832142 178.6
[M]- 362.05941858 178.6
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.