CID 3057060

1,3,5-triazaspiro(5.5)undeca-2,4-diene, 2,4-diamino-1-(2-ethylphenyl)-, hydrochloride

Structural Information

Molecular Formula
C16H23N5
SMILES
CCC1=CC=CC=C1N2C(=NC(=NC23CCCCC3)N)N
InChI
InChI=1S/C16H23N5/c1-2-12-8-4-5-9-13(12)21-15(18)19-14(17)20-16(21)10-6-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H4,17,18,19,20)
InChIKey
MHAQPTOIDHNSCM-UHFFFAOYSA-N
Compound name
5-(2-ethylphenyl)-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

285.19534 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20262 169.1
[M+Na]+ 308.18456 181.4
[M+NH4]+ 303.22916 178.0
[M+K]+ 324.15850 172.4
[M-H]- 284.18806 174.3
[M+Na-2H]- 306.17001 178.0
[M]+ 285.19479 172.3
[M]- 285.19589 172.3
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.