CID 3057051

1,3,5-triazaspiro(5.5)undeca-2,4-diene, 1-(4-bromophenyl)-2,4-diamino-9-methyl-, hydrochloride

Structural Information

Molecular Formula
C15H20BrN5
SMILES
CC1CCC2(CC1)N=C(N=C(N2C3=CC=C(C=C3)Br)N)N
InChI
InChI=1S/C15H20BrN5/c1-10-6-8-15(9-7-10)20-13(17)19-14(18)21(15)12-4-2-11(16)3-5-12/h2-5,10H,6-9H2,1H3,(H4,17,18,19,20)
InChIKey
PFJQKPUFOSXEQF-UHFFFAOYSA-N
Compound name
5-(4-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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.09748 173.2
[M+Na]+ 372.07942 182.8
[M-H]- 348.08292 179.3
[M+NH4]+ 367.12402 187.5
[M+K]+ 388.05336 169.3
[M+H-H2O]+ 332.08746 169.6
[M+HCOO]- 394.08840 187.5
[M+CH3COO]- 408.10405 184.0
[M+Na-2H]- 370.06487 178.0
[M]+ 349.08965 184.6
[M]- 349.09075 184.6
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.