CID 199346

Brn 0482281

Structural Information

Molecular Formula
C12H19BrN4
SMILES
C1CCN(CC1)CCNC2=C(C=NC=C2N)Br
InChI
InChI=1S/C12H19BrN4/c13-10-8-15-9-11(14)12(10)16-4-7-17-5-2-1-3-6-17/h8-9H,1-7,14H2,(H,15,16)
InChIKey
LKGYTHVKEJBXTL-UHFFFAOYSA-N
Compound name
5-bromo-4-N-(2-piperidin-1-ylethyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0793 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.08658 160.5
[M+Na]+ 321.06852 167.8
[M-H]- 297.07202 165.4
[M+NH4]+ 316.11312 175.7
[M+K]+ 337.04246 155.2
[M+H-H2O]+ 281.07656 157.2
[M+HCOO]- 343.07750 177.6
[M+CH3COO]- 357.09315 202.9
[M+Na-2H]- 319.05397 166.0
[M]+ 298.07875 172.9
[M]- 298.07985 172.9
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.