CID 111718

Benzenediazonium, 4-(4-benzoyl-1-piperazinyl)-2,5-bis(1-methylethoxy)-, sulfate (1:1)

Structural Information

Molecular Formula
C23H29N4O3
SMILES
CC(C)OC1=CC(=C(C=C1[N+]#N)OC(C)C)N2CCN(CC2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H29N4O3/c1-16(2)29-21-15-20(22(30-17(3)4)14-19(21)25-24)26-10-12-27(13-11-26)23(28)18-8-6-5-7-9-18/h5-9,14-17H,10-13H2,1-4H3/q+1
InChIKey
PJSFUFQCWXSTKH-UHFFFAOYSA-N
Compound name
4-(4-benzoylpiperazin-1-yl)-2,5-di(propan-2-yloxy)benzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.22397 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.23125 202.1
[M+Na]+ 432.21319 206.8
[M-H]- 408.21669 206.8
[M+NH4]+ 427.25779 207.7
[M+K]+ 448.18713 197.2
[M+H-H2O]+ 392.22123 186.2
[M+HCOO]- 454.22217 213.9
[M+CH3COO]- 468.23782 232.2
[M+Na-2H]- 430.19864 201.5
[M]+ 409.22342 195.3
[M]- 409.22452 195.3
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.