CID 6329322

79514-45-7

Structural Information

Molecular Formula
C14H19N4Se
SMILES
C/C(=N\N=C(\N1CCCCCC1)/[Se])/C2=CC=CC=N2
InChI
InChI=1S/C14H19N4Se/c1-12(13-8-4-5-9-15-13)16-17-14(19)18-10-6-2-3-7-11-18/h4-5,8-9H,2-3,6-7,10-11H2,1H3/b16-12+,17-14-
InChIKey
BVQKTESASXWFEC-KWOQVVRBSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.07748 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08476 172.0
[M+Na]+ 346.06670 172.9
[M-H]- 322.07020 177.6
[M+NH4]+ 341.11130 184.5
[M+K]+ 362.04064 175.0
[M+H-H2O]+ 306.07474 160.7
[M+HCOO]- 368.07568 191.2
[M+CH3COO]- 382.09133 206.9
[M+Na-2H]- 344.05215 174.5
[M]+ 323.07693 164.8
[M]- 323.07803 164.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.