CID 374399

Nsc652109

Structural Information

Molecular Formula
C18H32N4O4
SMILES
CC1(CN=CC(C(=O)NC(CN=CC(C(=O)N1)(C)OC)(C)C)(C)OC)C
InChI
InChI=1S/C18H32N4O4/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/h11-12H,9-10H2,1-8H3,(H,21,23)(H,22,24)
InChIKey
UHZFQYYITQQTCZ-UHFFFAOYSA-N
Compound name
6,13-dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetrazacyclotetradeca-7,14-diene-5,12-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.24237 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.24965 180.9
[M+Na]+ 391.23159 189.9
[M-H]- 367.23509 176.5
[M+NH4]+ 386.27619 192.5
[M+K]+ 407.20553 188.5
[M+H-H2O]+ 351.23963 178.7
[M+HCOO]- 413.24057 190.8
[M+CH3COO]- 427.25622 206.5
[M+Na-2H]- 389.21704 183.8
[M]+ 368.24182 179.0
[M]- 368.24292 179.0
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.