CID 473730

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

Structural Information

Molecular Formula
C30H25ClN4
SMILES
C1CCC2(CC1)N=C3C=C4C(=NC5=CC=CC=C5N4C6=CC=C(C=C6)Cl)C=C3N2C7=CC=CC=C7
InChI
InChI=1S/C30H25ClN4/c31-21-13-15-22(16-14-21)34-27-12-6-5-11-24(27)32-25-19-29-26(20-28(25)34)33-30(17-7-2-8-18-30)35(29)23-9-3-1-4-10-23/h1,3-6,9-16,19-20H,2,7-8,17-18H2
InChIKey
JXQUSJUEIUUXKJ-UHFFFAOYSA-N
Compound name
5'-(4-chlorophenyl)-1'-phenylspiro[cyclohexane-1,2'-imidazo[4,5-b]phenazine]
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

476.1768 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.18408 219.2
[M+Na]+ 499.16602 228.3
[M-H]- 475.16952 226.7
[M+NH4]+ 494.21062 227.7
[M+K]+ 515.13996 216.4
[M+H-H2O]+ 459.17406 201.8
[M+HCOO]- 521.17500 225.0
[M+CH3COO]- 535.19065 225.0
[M+Na-2H]- 497.15147 220.8
[M]+ 476.17625 217.0
[M]- 476.17735 217.0
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.