CID 6382897

109576-79-6

Structural Information

Molecular Formula
C17H13ClN3Se
SMILES
CC1=NN(C(=C1C=NC2=CC=C(C=C2)Cl)[Se])C3=CC=CC=C3
InChI
InChI=1S/C17H13ClN3Se/c1-12-16(11-19-14-9-7-13(18)8-10-14)17(22)21(20-12)15-5-3-2-4-6-15/h2-11H,1H3
InChIKey
FQPJQNQHQGCJPN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.9963 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.00358 185.3
[M+Na]+ 396.98552 195.4
[M-H]- 372.98902 193.6
[M+NH4]+ 392.03012 200.0
[M+K]+ 412.95946 187.7
[M+H-H2O]+ 356.99356 174.6
[M+HCOO]- 418.99450 205.0
[M+CH3COO]- 433.01015 196.6
[M+Na-2H]- 394.97097 186.9
[M]+ 373.99575 189.0
[M]- 373.99685 189.0
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.