CID 374161

Nsc651630

Structural Information

Molecular Formula
C24H16Cl3N3
SMILES
C#CCN(CC1=CC2=C(C=C1)N=C(C(=N2)Cl)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H16Cl3N3/c1-2-12-30(18-9-10-19(25)20(26)14-18)15-16-8-11-21-22(13-16)29-24(27)23(28-21)17-6-4-3-5-7-17/h1,3-11,13-14H,12,15H2
InChIKey
KRZLIMVRFCIPJC-UHFFFAOYSA-N
Compound name
3,4-dichloro-N-[(3-chloro-2-phenylquinoxalin-6-yl)methyl]-N-prop-2-ynylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

451.041 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.04828 204.3
[M+Na]+ 474.03022 216.8
[M-H]- 450.03372 206.9
[M+NH4]+ 469.07482 211.5
[M+K]+ 490.00416 203.8
[M+H-H2O]+ 434.03826 187.7
[M+HCOO]- 496.03920 205.1
[M+CH3COO]- 510.05485 210.2
[M+Na-2H]- 472.01567 204.3
[M]+ 451.04045 203.2
[M]- 451.04155 203.2
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.