CID 473677

Chembl157389

Structural Information

Molecular Formula
C29H26N4
SMILES
C1CCC(C1)N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=CC=C5)C=C2NC6=CC=CC=C6
InChI
InChI=1S/C29H26N4/c1-3-11-21(12-4-1)30-25-19-27-29(20-26(25)31-22-13-7-8-14-22)33(23-15-5-2-6-16-23)28-18-10-9-17-24(28)32-27/h1-6,9-12,15-20,22,30H,7-8,13-14H2
InChIKey
XFAIGCIKILBWBU-UHFFFAOYSA-N
Compound name
3-cyclopentylimino-N,5-diphenylphenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

430.21576 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.22304 202.3
[M+Na]+ 453.20498 207.7
[M-H]- 429.20848 214.1
[M+NH4]+ 448.24958 211.5
[M+K]+ 469.17892 198.3
[M+H-H2O]+ 413.21302 188.5
[M+HCOO]- 475.21396 221.7
[M+CH3COO]- 489.22961 210.1
[M+Na-2H]- 451.19043 206.4
[M]+ 430.21521 198.3
[M]- 430.21631 198.3
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