CID 392818

Nsc693774

Structural Information

Molecular Formula
C24H17ClFN3
SMILES
C#CCN(CC1=CC2=C(C=C1)N=C(C(=N2)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)F
InChI
InChI=1S/C24H17ClFN3/c1-2-14-29(20-11-9-19(26)10-12-20)16-17-8-13-21-22(15-17)28-24(25)23(27-21)18-6-4-3-5-7-18/h1,3-13,15H,14,16H2
InChIKey
UROGRUMXMWCOJF-UHFFFAOYSA-N
Compound name
N-[(3-chloro-2-phenylquinoxalin-6-yl)methyl]-4-fluoro-N-prop-2-ynylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1095 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.11678 197.6
[M+Na]+ 424.09872 208.8
[M-H]- 400.10222 200.5
[M+NH4]+ 419.14332 205.4
[M+K]+ 440.07266 196.1
[M+H-H2O]+ 384.10676 178.9
[M+HCOO]- 446.10770 206.6
[M+CH3COO]- 460.12335 204.2
[M+Na-2H]- 422.08417 199.3
[M]+ 401.10895 193.1
[M]- 401.11005 193.1
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.