CID 202239

Barverin

Structural Information

Molecular Formula
C29H43N5O3
SMILES
C1CCN(CC1)CCN2C(=O)C(C(=O)N(C2=O)CCN3CCCCC3)(C4=CC=CC=C4)N5CCCCC5
InChI
InChI=1S/C29H43N5O3/c35-26-29(25-13-5-1-6-14-25,32-19-11-4-12-20-32)27(36)34(24-22-31-17-9-3-10-18-31)28(37)33(26)23-21-30-15-7-2-8-16-30/h1,5-6,13-14H,2-4,7-12,15-24H2
InChIKey
BWMPANCYUOEPFB-UHFFFAOYSA-N
Compound name
5-phenyl-5-piperidin-1-yl-1,3-bis(2-piperidin-1-ylethyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

509.33658 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.34386 233.6
[M+Na]+ 532.32580 230.6
[M-H]- 508.32930 237.3
[M+NH4]+ 527.37040 232.0
[M+K]+ 548.29974 223.5
[M+H-H2O]+ 492.33384 215.4
[M+HCOO]- 554.33478 232.9
[M+CH3COO]- 568.35043 233.5
[M+Na-2H]- 530.31125 225.5
[M]+ 509.33603 218.8
[M]- 509.33713 218.8
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

patents stripe