CID 73504625

Mitotempo

Structural Information

Molecular Formula
C29H35N2O2P
SMILES
CC1(CC(CC(N1[O])(C)C)NC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C29H34N2O2P/c1-28(2)20-23(21-29(3,4)31(28)33)30-27(32)22-34(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,23H,20-22H2,1-4H3/p+1
InChIKey
OVDPLBMWAOKARA-UHFFFAOYSA-O
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

146
References

0
Patents

474.24362 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.25090 215.3
[M+Na]+ 497.23284 230.5
[M+NH4]+ 492.27744 225.9
[M+K]+ 513.20678 219.0
[M-H]- 473.23634 224.8
[M+Na-2H]- 495.21829 229.2
[M]+ 474.24307 221.0
[M]- 474.24417 221.0
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.