CID 456267

B673

Structural Information

Molecular Formula
C30H26Cl2N4
SMILES
C1CCC(CC1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl
InChI
InChI=1S/C30H26Cl2N4/c31-20-10-14-23(15-11-20)34-26-18-28-30(19-27(26)33-22-6-2-1-3-7-22)36(24-16-12-21(32)13-17-24)29-9-5-4-8-25(29)35-28/h4-5,8-19,22,34H,1-3,6-7H2
InChIKey
VJIHORYXHRMMPJ-UHFFFAOYSA-N
Compound name
N,5-bis(4-chlorophenyl)-3-cyclohexyliminophenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

8
Patents

512.15344 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.16072 223.7
[M+Na]+ 535.14266 230.6
[M-H]- 511.14616 233.2
[M+NH4]+ 530.18726 229.4
[M+K]+ 551.11660 219.8
[M+H-H2O]+ 495.15070 208.7
[M+HCOO]- 557.15164 230.6
[M+CH3COO]- 571.16729 229.3
[M+Na-2H]- 533.12811 226.3
[M]+ 512.15289 222.9
[M]- 512.15399 222.9
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