CID 384586

Nsc674599

Structural Information

Molecular Formula
C18H28N8
SMILES
C1CN(CCN(CCCN(CCN(C1)CC#N)CC#N)CC#N)CC#N
InChI
InChI=1S/C18H28N8/c19-3-11-23-7-1-8-24(12-4-20)16-18-26(14-6-22)10-2-9-25(13-5-21)17-15-23/h1-2,7-18H2
InChIKey
SQXSRHSWQHQBQK-UHFFFAOYSA-N
Compound name
2-[4,8,11-tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.24368 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.25096 158.5
[M+Na]+ 379.23290 161.5
[M-H]- 355.23640 159.4
[M+NH4]+ 374.27750 159.3
[M+K]+ 395.20684 159.7
[M+H-H2O]+ 339.24094 149.3
[M+HCOO]- 401.24188 157.3
[M+CH3COO]- 415.25753 250.0
[M+Na-2H]- 377.21835 155.5
[M]+ 356.24313 151.4
[M]- 356.24423 151.4
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.