CID 369741

Nsc641834

Structural Information

Molecular Formula
C18H36N6O2
SMILES
CC1(C(=NNC(=O)C[N+](C)(C)C)C(C1=NNC(=O)C[N+](C)(C)C)(C)C)C
InChI
InChI=1S/C18H34N6O2/c1-17(2)15(21-19-13(25)11-23(5,6)7)18(3,4)16(17)22-20-14(26)12-24(8,9)10/h11-12H2,1-10H3/p+2
InChIKey
LCFZAEWVBIELMF-UHFFFAOYSA-P
Compound name
trimethyl-[2-oxo-2-[2-[2,2,4,4-tetramethyl-3-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]cyclobutylidene]hydrazinyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.28998 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.29726 182.6
[M+Na]+ 391.27920 183.6
[M-H]- 367.28270 190.4
[M+NH4]+ 386.32380 249.4
[M+K]+ 407.25314 178.2
[M+H-H2O]+ 351.28724 176.6
[M+HCOO]- 413.28818 260.1
[M+CH3COO]- 427.30383 230.4
[M+Na-2H]- 389.26465 192.0
[M]+ 368.28943 190.8
[M]- 368.29053 190.8
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.