CID 3048835

64036-65-3

Structural Information

Molecular Formula
C30H39N3O3
SMILES
CC(C)N(C(C)C)C(=O)CN1CCN(CC1)CC2COC3(O2)C4=CC=CC=C4C=CC5=CC=CC=C35
InChI
InChI=1S/C30H39N3O3/c1-22(2)33(23(3)4)29(34)20-32-17-15-31(16-18-32)19-26-21-35-30(36-26)27-11-7-5-9-24(27)13-14-25-10-6-8-12-28(25)30/h5-14,22-23,26H,15-21H2,1-4H3
InChIKey
QEQQPWQEPKHLGI-UHFFFAOYSA-N
Compound name
N,N-di(propan-2-yl)-2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

489.29913 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.30641 225.7
[M+Na]+ 512.28835 234.2
[M+NH4]+ 507.33295 232.5
[M+K]+ 528.26229 228.9
[M-H]- 488.29185 232.1
[M+Na-2H]- 510.27380 228.3
[M]+ 489.29858 228.8
[M]- 489.29968 228.8
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.