CID 3057064

73941-04-5

Structural Information

Molecular Formula
C15H21N5
SMILES
CC1CCC2(CC1)N=C(N=C(N2C3=CC=CC=C3)N)N
InChI
InChI=1S/C15H21N5/c1-11-7-9-15(10-8-11)19-13(16)18-14(17)20(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3,(H4,16,17,18,19)
InChIKey
BINJJCAMGZWGFO-UHFFFAOYSA-N
Compound name
9-methyl-5-phenyl-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

271.1797 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.18698 166.1
[M+Na]+ 294.16892 172.6
[M-H]- 270.17242 169.6
[M+NH4]+ 289.21352 179.5
[M+K]+ 310.14286 167.1
[M+H-H2O]+ 254.17696 155.7
[M+HCOO]- 316.17790 182.6
[M+CH3COO]- 330.19355 175.4
[M+Na-2H]- 292.15437 170.7
[M]+ 271.17915 157.9
[M]- 271.18025 157.9
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.