CID 81245

Solvent blue 4

Structural Information

Molecular Formula
C33H33N3O
SMILES
CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)(C3=CC=C(C4=CC=CC=C43)NC5=CC=CC=C5)O
InChI
InChI=1S/C33H33N3O/c1-35(2)27-18-14-24(15-19-27)33(37,25-16-20-28(21-17-25)36(3)4)31-22-23-32(30-13-9-8-12-29(30)31)34-26-10-6-5-7-11-26/h5-23,34,37H,1-4H3
InChIKey
WNDULEJVCPEASN-UHFFFAOYSA-N
Compound name
(4-anilinonaphthalen-1-yl)-bis[4-(dimethylamino)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

962
Patents

487.26236 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.26964 227.6
[M+Na]+ 510.25158 243.7
[M+NH4]+ 505.29618 236.1
[M+K]+ 526.22552 232.9
[M-H]- 486.25508 239.6
[M+Na-2H]- 508.23703 240.7
[M]+ 487.26181 233.7
[M]- 487.26291 233.7
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

patents stripe