CID 3392432

Diazine black

Structural Information

Molecular Formula
C28H26N5O
SMILES
CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)O)N=C2C=C1)C5=CC=CC=C5
InChI
InChI=1S/C28H25N5O/c1-3-32(4-2)23-13-17-26-28(19-23)33(22-8-6-5-7-9-22)27-18-21(12-16-25(27)29-26)31-30-20-10-14-24(34)15-11-20/h5-19H,3-4H2,1-2H3/p+1
InChIKey
PVGCVMQAKTYVAZ-UHFFFAOYSA-O
Compound name
4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2920
Patents

448.21375 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.22103 214.4
[M+Na]+ 471.20297 221.0
[M-H]- 447.20647 225.4
[M+NH4]+ 466.24757 221.7
[M+K]+ 487.17691 208.6
[M+H-H2O]+ 431.21101 202.4
[M+HCOO]- 493.21195 237.0
[M+CH3COO]- 507.22760 239.9
[M+Na-2H]- 469.18842 224.4
[M]+ 448.21320 216.9
[M]- 448.21430 216.9
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