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 170.3
[M+Na]+ 308.18456 176.3
[M-H]- 284.18806 173.6
[M+NH4]+ 303.22916 183.1
[M+K]+ 324.15850 170.6
[M+H-H2O]+ 268.19260 159.6
[M+HCOO]- 330.19354 186.5
[M+CH3COO]- 344.20919 179.2
[M+Na-2H]- 306.17001 174.4
[M]+ 285.19479 162.4
[M]- 285.19589 162.4
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.