CID 473673

(3z)-3-heptylimino-n,5-diphenyl-phenazin-2-amine

Structural Information

Molecular Formula
C31H32N4
SMILES
CCCCCCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=CC=C4)C=C1NC5=CC=CC=C5
InChI
InChI=1S/C31H32N4/c1-2-3-4-5-14-21-32-27-23-31-29(22-28(27)33-24-15-8-6-9-16-24)34-26-19-12-13-20-30(26)35(31)25-17-10-7-11-18-25/h6-13,15-20,22-23,33H,2-5,14,21H2,1H3
InChIKey
YMKVBPLTNAJONI-UHFFFAOYSA-N
Compound name
3-heptylimino-N,5-diphenylphenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.2627 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.26998 217.0
[M+Na]+ 483.25192 222.2
[M-H]- 459.25542 225.1
[M+NH4]+ 478.29652 223.7
[M+K]+ 499.22586 212.3
[M+H-H2O]+ 443.25996 202.2
[M+HCOO]- 505.26090 236.3
[M+CH3COO]- 519.27655 223.6
[M+Na-2H]- 481.23737 222.9
[M]+ 460.26215 217.7
[M]- 460.26325 217.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.