CID 59843

104373-53-7

Structural Information

Molecular Formula
C22H29N5O3
SMILES
CC1=C(C(=C(C(=C1C(=O)NCCN2CCN(CC2)C3=CC=CC=N3)C)C)[N+](=O)[O-])C
InChI
InChI=1S/C22H29N5O3/c1-15-17(3)21(27(29)30)18(4)16(2)20(15)22(28)24-9-10-25-11-13-26(14-12-25)19-7-5-6-8-23-19/h5-8H,9-14H2,1-4H3,(H,24,28)
InChIKey
HVIFFYGJBRRCEP-UHFFFAOYSA-N
Compound name
2,3,5,6-tetramethyl-4-nitro-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.22705 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.23433 200.3
[M+Na]+ 434.21627 213.4
[M+NH4]+ 429.26087 205.2
[M+K]+ 450.19021 209.3
[M-H]- 410.21977 205.9
[M+Na-2H]- 432.20172 206.1
[M]+ 411.22650 203.4
[M]- 411.22760 203.4
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.