CID 380063

Nsc665364

Structural Information

Molecular Formula
C20H20ClN3O
SMILES
C1=CC=C(C=C1)C2N(O2)CCCCNC3=C4C=CC(=CC4=NC=C3)Cl
InChI
InChI=1S/C20H20ClN3O/c21-16-8-9-17-18(10-12-23-19(17)14-16)22-11-4-5-13-24-20(25-24)15-6-2-1-3-7-15/h1-3,6-10,12,14,20H,4-5,11,13H2,(H,22,23)
InChIKey
MMUAXWUXILQCRK-UHFFFAOYSA-N
Compound name
7-chloro-N-[4-(3-phenyloxaziridin-2-yl)butyl]quinolin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1295 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.13678 184.8
[M+Na]+ 376.11872 194.4
[M-H]- 352.12222 192.7
[M+NH4]+ 371.16332 190.6
[M+K]+ 392.09266 187.6
[M+H-H2O]+ 336.12676 174.2
[M+HCOO]- 398.12770 200.5
[M+CH3COO]- 412.14335 194.2
[M+Na-2H]- 374.10417 190.8
[M]+ 353.12895 190.7
[M]- 353.13005 190.7
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.