CID 67235

Indophenol blue

Structural Information

Molecular Formula
C18H16N2O
SMILES
CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23
InChI
InChI=1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3
InChIKey
VRZJGENLTNRAIG-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]iminonaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2295
Patents

276.12625 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.133526 162.8
[M+Na]+ 299.115468 170.2
[M-H]- 275.118974 173.0
[M+NH4]+ 294.160073 180.5
[M+K]+ 315.089408 166.4
[M+H-H2O]+ 259.123510 153.8
[M+HCOO]- 321.124451 188.7
[M+CH3COO]- 335.140101 211.0
[M+Na-2H]- 297.100916 169.2
[M]+ 276.12570142 163.2
[M]- 276.12679858 163.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe