CID 3057056

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

Structural Information

Molecular Formula
C16H23N5
SMILES
CC1=C(C(=CC=C1)C)N2C(=NC(=NC23CCCCC3)N)N
InChI
InChI=1S/C16H23N5/c1-11-7-6-8-12(2)13(11)21-15(18)19-14(17)20-16(21)9-4-3-5-10-16/h6-8H,3-5,9-10H2,1-2H3,(H4,17,18,19,20)
InChIKey
MYKXARBAFQQWEL-UHFFFAOYSA-N
Compound name
5-(2,6-dimethylphenyl)-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

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.20262 171.3
[M+Na]+ 308.18456 178.3
[M-H]- 284.18806 175.0
[M+NH4]+ 303.22916 184.4
[M+K]+ 324.15850 172.6
[M+H-H2O]+ 268.19260 160.9
[M+HCOO]- 330.19354 187.4
[M+CH3COO]- 344.20919 180.5
[M+Na-2H]- 306.17001 174.6
[M]+ 285.19479 163.8
[M]- 285.19589 163.8
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.