CID 3024699

Brn 0408338

Structural Information

Molecular Formula
C14H19N3Se
SMILES
CN(C)CCN(CC1=CC=C[Se]1)C2=CC=CC=N2
InChI
InChI=1S/C14H19N3Se/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
InChIKey
MRHSQARURHMPOG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-pyridin-2-yl-N'-(selenophen-2-ylmethyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07443 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08171 170.5
[M+Na]+ 332.06365 174.5
[M-H]- 308.06715 177.4
[M+NH4]+ 327.10825 187.9
[M+K]+ 348.03759 172.8
[M+H-H2O]+ 292.07169 160.3
[M+HCOO]- 354.07263 196.3
[M+CH3COO]- 368.08828 206.5
[M+Na-2H]- 330.04910 173.5
[M]+ 309.07388 172.2
[M]- 309.07498 172.2
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.