CID 394867

Nsc698956

Structural Information

Molecular Formula
C17H28N6
SMILES
CN(C)C1=NC(=NC(=N1)NC23CC4CC(C2)CC(C4)C3)N(C)C
InChI
InChI=1S/C17H28N6/c1-22(2)15-18-14(19-16(20-15)23(3)4)21-17-8-11-5-12(9-17)7-13(6-11)10-17/h11-13H,5-10H2,1-4H3,(H,18,19,20,21)
InChIKey
BLXKGLQDXNUWQR-UHFFFAOYSA-N
Compound name
6-N-(1-adamantyl)-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.23755 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.24483 172.0
[M+Na]+ 339.22677 172.8
[M-H]- 315.23027 168.4
[M+NH4]+ 334.27137 189.5
[M+K]+ 355.20071 171.2
[M+H-H2O]+ 299.23481 160.9
[M+HCOO]- 361.23575 179.1
[M+CH3COO]- 375.25140 178.3
[M+Na-2H]- 337.21222 182.7
[M]+ 316.23700 173.2
[M]- 316.23810 173.2
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.