CID 132169801

1610338-51-6

Structural Information

Molecular Formula
C33H33N3O4
SMILES
CC(CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-])O
InChI
InChI=1S/C33H33N3O4/c1-25(37)23-26-17-18-27(24-31(26)36(39)40)32(38)34-19-21-35(22-20-34)33(28-11-5-2-6-12-28,29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-18,24-25,37H,19-23H2,1H3
InChIKey
MLENBYOQUVLOFO-UHFFFAOYSA-N
Compound name
[4-(2-hydroxypropyl)-3-nitrophenyl]-(4-tritylpiperazin-1-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

535.24713 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 536.25441 228.6
[M+Na]+ 558.23635 243.5
[M+NH4]+ 553.28095 233.9
[M+K]+ 574.21029 237.8
[M-H]- 534.23985 238.0
[M+Na-2H]- 556.22180 239.8
[M]+ 535.24658 233.4
[M]- 535.24768 233.4
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

patents stripe