CID 6410702

N,n'''-bis(1-hydroxyimino-2-oxopropyl)-n',n''-dispirotripiperazinium dichloride

Structural Information

Molecular Formula
C18H32N6O4
SMILES
CC(=O)/C(=N/O)/N1CC[N+]2(CC[N+]3(CC2)CCN(CC3)/C(=N\O)/C(=O)C)CC1
InChI
InChI=1S/C18H30N6O4/c1-15(25)17(19-27)21-3-7-23(8-4-21)11-13-24(14-12-23)9-5-22(6-10-24)18(20-28)16(2)26/h3-14H2,1-2H3/p+2
InChIKey
LMDBBIBPUPMPAA-UHFFFAOYSA-P
Compound name
(1Z)-1-[12-[(Z)-C-acetyl-N-hydroxycarbonimidoyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-1-hydroxyiminopropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.2485 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.25578 186.9
[M+Na]+ 419.23772 185.6
[M-H]- 395.24122 186.9
[M+NH4]+ 414.28232 194.9
[M+K]+ 435.21166 173.0
[M+H-H2O]+ 379.24576 182.1
[M+HCOO]- 441.24670 191.6
[M+CH3COO]- 455.26235 206.5
[M+Na-2H]- 417.22317 192.6
[M]+ 396.24795 172.2
[M]- 396.24905 172.2
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.