CID 159963

Cf deriv b1912

Structural Information

Molecular Formula
C30H27ClN4
SMILES
C1CCC(CC1)N=C2C=C3C(=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)Cl)C=C2NC6=CC=CC=C6
InChI
InChI=1S/C30H27ClN4/c31-21-16-17-29-27(18-21)34-28-19-25(32-22-10-4-1-5-11-22)26(33-23-12-6-2-7-13-23)20-30(28)35(29)24-14-8-3-9-15-24/h1,3-5,8-11,14-20,23,32H,2,6-7,12-13H2
InChIKey
KPLQKLZCORLFAQ-UHFFFAOYSA-N
Compound name
8-chloro-3-cyclohexylimino-N,5-diphenylphenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

478.1924 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.19968 216.6
[M+Na]+ 501.18162 222.1
[M-H]- 477.18512 226.8
[M+NH4]+ 496.22622 222.7
[M+K]+ 517.15556 211.6
[M+H-H2O]+ 461.18966 201.2
[M+HCOO]- 523.19060 228.5
[M+CH3COO]- 537.20625 222.6
[M+Na-2H]- 499.16707 220.8
[M]+ 478.19185 213.4
[M]- 478.19295 213.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.