CID 439064

Nsc665068

Structural Information

Molecular Formula
C16H32N4O4
SMILES
CC1(CNCC(C(=O)NC(CNCC(C(=O)N1)(C)O)(C)C)(C)O)C
InChI
InChI=1S/C16H32N4O4/c1-13(2)7-17-9-16(6,24)12(22)20-14(3,4)8-18-10-15(5,23)11(21)19-13/h17-18,23-24H,7-10H2,1-6H3,(H,19,21)(H,20,22)
InChIKey
BYALZCJOASGXKB-UHFFFAOYSA-N
Compound name
6,13-dihydroxy-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

344.24237 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.24965 186.4
[M+Na]+ 367.23159 192.9
[M-H]- 343.23509 176.3
[M+NH4]+ 362.27619 196.2
[M+K]+ 383.20553 189.1
[M+H-H2O]+ 327.23963 186.1
[M+HCOO]- 389.24057 188.0
[M+CH3COO]- 403.25622 193.5
[M+Na-2H]- 365.21704 185.9
[M]+ 344.24182 174.3
[M]- 344.24292 174.3
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.