CID 3057062

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

Structural Information

Molecular Formula
C17H25N5
SMILES
CCC1=CC=CC=C1N2C(=NC(=NC23CCC(CC3)C)N)N
InChI
InChI=1S/C17H25N5/c1-3-13-6-4-5-7-14(13)22-16(19)20-15(18)21-17(22)10-8-12(2)9-11-17/h4-7,12H,3,8-11H2,1-2H3,(H4,18,19,20,21)
InChIKey
JUJCSQHJKVMOKE-UHFFFAOYSA-N
Compound name
5-(2-ethylphenyl)-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

299.211 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.21828 175.5
[M+Na]+ 322.20022 182.1
[M-H]- 298.20372 179.0
[M+NH4]+ 317.24482 188.0
[M+K]+ 338.17416 176.1
[M+H-H2O]+ 282.20826 164.9
[M+HCOO]- 344.20920 191.3
[M+CH3COO]- 358.22485 184.3
[M+Na-2H]- 320.18567 178.2
[M]+ 299.21045 168.3
[M]- 299.21155 168.3
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.