CID 3057058

1,3,5-triazaspiro(5.5)undeca-2,4-diene, 2,4-diamino-1-(2,6-dimethylphenyl)-9-methyl-, hydrochloride

Structural Information

Molecular Formula
C17H25N5
SMILES
CC1CCC2(CC1)N=C(N=C(N2C3=C(C=CC=C3C)C)N)N
InChI
InChI=1S/C17H25N5/c1-11-7-9-17(10-8-11)21-15(18)20-16(19)22(17)14-12(2)5-4-6-13(14)3/h4-6,11H,7-10H2,1-3H3,(H4,18,19,20,21)
InChIKey
RCNPCNLJTMZSJF-UHFFFAOYSA-N
Compound name
5-(2,6-dimethylphenyl)-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 176.4
[M+Na]+ 322.20022 183.9
[M-H]- 298.20372 180.4
[M+NH4]+ 317.24482 189.3
[M+K]+ 338.17416 178.0
[M+H-H2O]+ 282.20826 166.1
[M+HCOO]- 344.20920 192.2
[M+CH3COO]- 358.22485 185.5
[M+Na-2H]- 320.18567 178.3
[M]+ 299.21045 169.7
[M]- 299.21155 169.7
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.