CID 394868

Nsc698957

Structural Information

Molecular Formula
C18H30N6
SMILES
CN(C)C1=NC(=NC(=N1)N(C)C23CC4CC(C2)CC(C4)C3)N(C)C
InChI
InChI=1S/C18H30N6/c1-22(2)15-19-16(23(3)4)21-17(20-15)24(5)18-9-12-6-13(10-18)8-14(7-12)11-18/h12-14H,6-11H2,1-5H3
InChIKey
ASDANTDVNGNOKK-UHFFFAOYSA-N
Compound name
2-N-(1-adamantyl)-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.2532 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.26048 177.3
[M+Na]+ 353.24242 177.4
[M-H]- 329.24592 174.6
[M+NH4]+ 348.28702 194.7
[M+K]+ 369.21636 176.9
[M+H-H2O]+ 313.25046 165.7
[M+HCOO]- 375.25140 184.4
[M+CH3COO]- 389.26705 183.5
[M+Na-2H]- 351.22787 186.6
[M]+ 330.25265 179.7
[M]- 330.25375 179.7
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.