CID 60150637

Mitotempol

Structural Information

Molecular Formula
C32H42NO2P
SMILES
CC1(CC(CC(N1[O])(C)C)OCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C32H42NO2P/c1-31(2)25-27(26-32(3,4)33(31)34)35-23-15-8-16-24-36(28-17-9-5-10-18-28,29-19-11-6-12-20-29)30-21-13-7-14-22-30/h5-7,9-14,17-22,27H,8,15-16,23-26H2,1-4H3/q+1
InChIKey
ZWQFCZWBYITNCB-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

503.29532 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 504.30260 237.1
[M+Na]+ 526.28454 238.5
[M-H]- 502.28804 245.1
[M+NH4]+ 521.32914 245.1
[M+K]+ 542.25848 227.6
[M+H-H2O]+ 486.29258 223.7
[M+HCOO]- 548.29352 254.8
[M+CH3COO]- 562.30917 237.7
[M+Na-2H]- 524.26999 236.1
[M]+ 503.29477 235.9
[M]- 503.29587 235.9
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.