CID 473668

Chembl153832

Structural Information

Molecular Formula
C28H26N4
SMILES
CCCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=CC=C4)C=C1NC5=CC=CC=C5
InChI
InChI=1S/C28H26N4/c1-2-3-18-29-24-20-28-26(19-25(24)30-21-12-6-4-7-13-21)31-23-16-10-11-17-27(23)32(28)22-14-8-5-9-15-22/h4-17,19-20,30H,2-3,18H2,1H3
InChIKey
VDBMRMRPIBTREN-UHFFFAOYSA-N
Compound name
3-butylimino-N,5-diphenylphenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

418.21576 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.22304 204.2
[M+Na]+ 441.20498 210.9
[M-H]- 417.20848 213.0
[M+NH4]+ 436.24958 212.7
[M+K]+ 457.17892 201.5
[M+H-H2O]+ 401.21302 190.2
[M+HCOO]- 463.21396 224.6
[M+CH3COO]- 477.22961 212.2
[M+Na-2H]- 439.19043 211.7
[M]+ 418.21521 204.2
[M]- 418.21631 204.2
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.