CID 425633

Nsc175439

Structural Information

Molecular Formula
C18H36N4
SMILES
CC1CNC(CC(=NC(CNC(CC(=N1)C)(C)C)C)C)(C)C
InChI
InChI=1S/C18H36N4/c1-13-9-17(5,6)19-12-16(4)22-14(2)10-18(7,8)20-11-15(3)21-13/h15-16,19-20H,9-12H2,1-8H3
InChIKey
CQSZEPSPVBCPSN-UHFFFAOYSA-N
Compound name
2,5,5,7,9,12,12,14-octamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

308.294 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.30128 178.7
[M+Na]+ 331.28322 185.8
[M-H]- 307.28672 173.3
[M+NH4]+ 326.32782 189.2
[M+K]+ 347.25716 181.8
[M+H-H2O]+ 291.29126 174.6
[M+HCOO]- 353.29220 187.2
[M+CH3COO]- 367.30785 199.7
[M+Na-2H]- 329.26867 177.4
[M]+ 308.29345 170.9
[M]- 308.29455 170.9
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

patents stripe