CID 498832

Nsc635104

Structural Information

Molecular Formula
C21H40N4O
SMILES
CCN(CC)C1=C(C(=O)C(=C1N(CC)CC)N(CC)CC)N(CC)CC
InChI
InChI=1S/C21H40N4O/c1-9-22(10-2)17-18(23(11-3)12-4)20(25(15-7)16-8)21(26)19(17)24(13-5)14-6/h9-16H2,1-8H3
InChIKey
IRBVFRSSKSOCDR-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrakis(diethylamino)cyclopenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.32022 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.32750 199.7
[M+Na]+ 387.30944 202.8
[M-H]- 363.31294 208.1
[M+NH4]+ 382.35404 216.1
[M+K]+ 403.28338 203.7
[M+H-H2O]+ 347.31748 190.6
[M+HCOO]- 409.31842 227.0
[M+CH3COO]- 423.33407 246.7
[M+Na-2H]- 385.29489 194.9
[M]+ 364.31967 208.7
[M]- 364.32077 208.7
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.