CID 473676

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

Structural Information

Molecular Formula
C36H42N4
SMILES
CCCCCCCCCCCCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=CC=C4)C=C1NC5=CC=CC=C5
InChI
InChI=1S/C36H42N4/c1-2-3-4-5-6-7-8-9-10-19-26-37-32-28-36-34(27-33(32)38-29-20-13-11-14-21-29)39-31-24-17-18-25-35(31)40(36)30-22-15-12-16-23-30/h11-18,20-25,27-28,38H,2-10,19,26H2,1H3
InChIKey
IUQKSGPZLPDKFK-UHFFFAOYSA-N
Compound name
3-dodecylimino-N,5-diphenylphenazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

530.34094 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.34822 237.8
[M+Na]+ 553.33016 240.5
[M-H]- 529.33366 244.7
[M+NH4]+ 548.37476 241.5
[M+K]+ 569.30410 229.7
[M+H-H2O]+ 513.33820 221.9
[M+HCOO]- 575.33914 255.2
[M+CH3COO]- 589.35479 242.1
[M+Na-2H]- 551.31561 241.0
[M]+ 530.34039 239.9
[M]- 530.34149 239.9
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

patents stripe