CID 75078

Phenol blue

Structural Information

Molecular Formula
C14H14N2O
SMILES
CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C=C2
InChI
InChI=1S/C14H14N2O/c1-16(2)13-7-3-11(4-8-13)15-12-5-9-14(17)10-6-12/h3-10H,1-2H3
InChIKey
LHGMHYDJNXEEFG-UHFFFAOYSA-N
Compound name
4-[4-(dimethylamino)phenyl]iminocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

1774
Patents

226.11061 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.11789 149.6
[M+Na]+ 249.09983 156.5
[M-H]- 225.10333 159.1
[M+NH4]+ 244.14443 168.4
[M+K]+ 265.07377 154.4
[M+H-H2O]+ 209.10787 141.4
[M+HCOO]- 271.10881 177.2
[M+CH3COO]- 285.12446 200.1
[M+Na-2H]- 247.08528 155.7
[M]+ 226.11006 149.7
[M]- 226.11116 149.7
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