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

1
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

patents stripe