CID 473729

5'-(4-isopropoxyphenyl)-1'-phenyl-spiro[cyclohexane-1,2'-imidazo[4,5-b]phenazine]

Structural Information

Molecular Formula
C33H32N4O
SMILES
CC(C)OC1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=CC5=NC6(CCCCC6)N(C5=C4)C7=CC=CC=C7
InChI
InChI=1S/C33H32N4O/c1-23(2)38-26-17-15-24(16-18-26)36-30-14-8-7-13-27(30)34-28-21-32-29(22-31(28)36)35-33(19-9-4-10-20-33)37(32)25-11-5-3-6-12-25/h3,5-8,11-18,21-23H,4,9-10,19-20H2,1-2H3
InChIKey
JGKAVEKWXPBKDI-UHFFFAOYSA-N
Compound name
1'-phenyl-5'-(4-propan-2-yloxyphenyl)spiro[cyclohexane-1,2'-imidazo[4,5-b]phenazine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.2576 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.26488 227.6
[M+Na]+ 523.24682 233.8
[M-H]- 499.25032 235.2
[M+NH4]+ 518.29142 233.9
[M+K]+ 539.22076 223.7
[M+H-H2O]+ 483.25486 210.2
[M+HCOO]- 545.25580 235.9
[M+CH3COO]- 559.27145 232.3
[M+Na-2H]- 521.23227 227.6
[M]+ 500.25705 224.5
[M]- 500.25815 224.5
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.