CID 373030

Nsc648863

Structural Information

Molecular Formula
C18H36N4O4
SMILES
CC1(CNCC(C(=O)NC(CNCC(C(=O)N1)(C)OC)(C)C)(C)OC)C
InChI
InChI=1S/C18H36N4O4/c1-15(2)9-19-11-18(6,26-8)14(24)22-16(3,4)10-20-12-17(5,25-7)13(23)21-15/h19-20H,9-12H2,1-8H3,(H,21,23)(H,22,24)
InChIKey
XZHCFUDUNBPION-UHFFFAOYSA-N
Compound name
6,13-dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetrazacyclotetradecane-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.27365 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.28093 189.1
[M+Na]+ 395.26287 195.4
[M-H]- 371.26637 181.2
[M+NH4]+ 390.30747 199.0
[M+K]+ 411.23681 192.8
[M+H-H2O]+ 355.27091 187.8
[M+HCOO]- 417.27185 193.0
[M+CH3COO]- 431.28750 203.2
[M+Na-2H]- 393.24832 188.9
[M]+ 372.27310 181.0
[M]- 372.27420 181.0
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.