CID 109593

68134-34-9

Structural Information

Molecular Formula
C33H34N7
SMILES
CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(CC)CCC#N)N=C2C=C1)C5=CC=CC=C5
InChI
InChI=1S/C33H34N7/c1-4-38(5-2)29-18-20-31-33(24-29)40(28-11-8-7-9-12-28)32-23-26(15-19-30(32)35-31)37-36-25-13-16-27(17-14-25)39(6-3)22-10-21-34/h7-9,11-20,23-24H,4-6,10,22H2,1-3H3/q+1
InChIKey
OJJPSGLODQDMMA-UHFFFAOYSA-N
Compound name
3-[4-[[8-(diethylamino)-10-phenylphenazin-10-ium-2-yl]diazenyl]-N-ethylanilino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

528.2876 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.29488 242.8
[M+Na]+ 551.27682 248.9
[M-H]- 527.28032 250.4
[M+NH4]+ 546.32142 245.9
[M+K]+ 567.25076 234.0
[M+H-H2O]+ 511.28486 222.8
[M+HCOO]- 573.28580 261.1
[M+CH3COO]- 587.30145 266.2
[M+Na-2H]- 549.26227 247.7
[M]+ 528.28705 240.6
[M]- 528.28815 240.6
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.