CID 372777

Nsc648401

Structural Information

Molecular Formula
C18H11Cl2N3O
SMILES
CC1=C(N=C2C(=N1)C3=CC=CC=C3C(=N2)OC4=CC=C(C=C4)Cl)Cl
InChI
InChI=1S/C18H11Cl2N3O/c1-10-16(20)22-17-15(21-10)13-4-2-3-5-14(13)18(23-17)24-12-8-6-11(19)7-9-12/h2-9H,1H3
InChIKey
VUYQLOWHSTYYTL-UHFFFAOYSA-N
Compound name
3-chloro-6-(4-chlorophenoxy)-2-methylpyrazino[2,3-c]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.02792 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.03520 178.2
[M+Na]+ 378.01714 192.0
[M-H]- 354.02064 182.4
[M+NH4]+ 373.06174 190.6
[M+K]+ 393.99108 183.5
[M+H-H2O]+ 338.02518 167.6
[M+HCOO]- 400.02612 187.9
[M+CH3COO]- 414.04177 189.0
[M+Na-2H]- 376.00259 186.0
[M]+ 355.02737 185.4
[M]- 355.02847 185.4
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.