CID 11556129

Mitopbn

Structural Information

Molecular Formula
C33H37NO2P
SMILES
CC(C)(C)/[N+](=C/C1=CC=C(C=C1)OCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)/[O-]
InChI
InChI=1S/C33H37NO2P/c1-33(2,3)34(35)27-28-21-23-29(24-22-28)36-25-13-14-26-37(30-15-7-4-8-16-30,31-17-9-5-10-18-31)32-19-11-6-12-20-32/h4-12,15-24,27H,13-14,25-26H2,1-3H3/q+1/b34-27-
InChIKey
QAMSCJCTMRTPOY-YLHCSOALSA-N
Compound name
N-tert-butyl-1-[4-(4-triphenylphosphaniumylbutoxy)phenyl]methanimine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

34
Patents

510.2562 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.26348 239.3
[M+Na]+ 533.24542 237.8
[M-H]- 509.24892 248.2
[M+NH4]+ 528.29002 243.0
[M+K]+ 549.21936 221.6
[M+H-H2O]+ 493.25346 231.1
[M+HCOO]- 555.25440 260.3
[M+CH3COO]- 569.27005 232.8
[M+Na-2H]- 531.23087 242.8
[M]+ 510.25565 235.8
[M]- 510.25675 235.8
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.