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
1
Annotation Hits

124
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 223.2
[M+Na]+ 497.23284 225.1
[M-H]- 473.23634 231.9
[M+NH4]+ 492.27744 232.0
[M+K]+ 513.20678 215.0
[M+H-H2O]+ 457.24088 211.0
[M+HCOO]- 519.24182 242.3
[M+CH3COO]- 533.25747 233.2
[M+Na-2H]- 495.21829 224.0
[M]+ 474.24307 219.3
[M]- 474.24417 219.3
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.