CID 53971

Bb 24

Structural Information

Molecular Formula
C24H34N3O3
SMILES
CC[N+](C)(CC)CCN1C(=O)C(C(=O)N(C1=O)CC2=CC=CC=C2)(CC=C)CC=C
InChI
InChI=1S/C24H34N3O3/c1-6-15-24(16-7-2)21(28)25(17-18-27(5,8-3)9-4)23(30)26(22(24)29)19-20-13-11-10-12-14-20/h6-7,10-14H,1-2,8-9,15-19H2,3-5H3/q+1
InChIKey
ZLPWONMONXYLHA-UHFFFAOYSA-N
Compound name
2-[3-benzyl-2,4,6-trioxo-5,5-bis(prop-2-enyl)-1,3-diazinan-1-yl]ethyl-diethyl-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.26 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.26728 200.3
[M+Na]+ 435.24922 205.8
[M-H]- 411.25272 204.7
[M+NH4]+ 430.29382 210.7
[M+K]+ 451.22316 194.7
[M+H-H2O]+ 395.25726 193.8
[M+HCOO]- 457.25820 216.2
[M+CH3COO]- 471.27385 226.1
[M+Na-2H]- 433.23467 203.2
[M]+ 412.25945 201.5
[M]- 412.26055 201.5
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.