CID 498121

Nsc175428

Structural Information

Molecular Formula
C17H34N4
SMILES
CC1CN=C(CC(NCCN=C(CC(N1)(C)C)C)(C)C)C
InChI
InChI=1S/C17H34N4/c1-13-11-17(6,7)21-15(3)12-19-14(2)10-16(4,5)20-9-8-18-13/h15,20-21H,8-12H2,1-7H3
InChIKey
QRSRCCMAYYKPLO-UHFFFAOYSA-N
Compound name
2,5,7,7,12,14,14-heptamethyl-1,4,8,11-tetrazacyclotetradeca-4,11-diene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.27835 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.28563 175.2
[M+Na]+ 317.26757 181.7
[M-H]- 293.27107 169.5
[M+NH4]+ 312.31217 185.9
[M+K]+ 333.24151 178.1
[M+H-H2O]+ 277.27561 170.8
[M+HCOO]- 339.27655 184.0
[M+CH3COO]- 353.29220 195.5
[M+Na-2H]- 315.25302 175.0
[M]+ 294.27780 166.6
[M]- 294.27890 166.6
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.