CID 3057049

73940-96-2

Structural Information

Molecular Formula
C15H20BrN5
SMILES
CC1CCC2(CC1)N=C(N=C(N2C3=CC=CC=C3Br)N)N
InChI
InChI=1S/C15H20BrN5/c1-10-6-8-15(9-7-10)20-13(17)19-14(18)21(15)12-5-3-2-4-11(12)16/h2-5,10H,6-9H2,1H3,(H4,17,18,19,20)
InChIKey
STUZNWXTRHQKRC-UHFFFAOYSA-N
Compound name
5-(2-bromophenyl)-9-methyl-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.0902 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09748 175.8
[M+Na]+ 372.07942 178.8
[M+NH4]+ 367.12402 180.9
[M+K]+ 388.05336 176.5
[M-H]- 348.08292 179.0
[M+Na-2H]- 370.06487 180.6
[M]+ 349.08965 176.0
[M]- 349.09075 176.0
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.