CID 160621

Victoria blue 4r

Structural Information

Molecular Formula
C34H34N3
SMILES
CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C3=CC=CC=C3)C4=CC=CC=C24)C5=CC=C(C=C5)N(C)C
InChI
InChI=1S/C34H34N3/c1-35(2)27-19-15-25(16-20-27)34(26-17-21-28(22-18-26)36(3)4)32-23-24-33(31-14-10-9-13-30(31)32)37(5)29-11-7-6-8-12-29/h6-24H,1-5H3/q+1
InChIKey
RHBVMOPMEXFYAE-UHFFFAOYSA-N
Compound name
[4-[bis[4-(dimethylamino)phenyl]methylidene]naphthalen-1-ylidene]-methyl-phenylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1263
Patents

484.27527 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 485.28255 228.8
[M+Na]+ 507.26449 229.7
[M-H]- 483.26799 243.7
[M+NH4]+ 502.30909 235.7
[M+K]+ 523.23843 218.6
[M+H-H2O]+ 467.27253 217.2
[M+HCOO]- 529.27347 249.1
[M+CH3COO]- 543.28912 250.7
[M+Na-2H]- 505.24994 229.6
[M]+ 484.27472 225.6
[M]- 484.27582 225.6
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

patents stripe