CID 94975

Benzoyl leuco methylene blue

Structural Information

Molecular Formula
C23H23N3OS
SMILES
CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3OS/c1-24(2)17-10-12-19-21(14-17)28-22-15-18(25(3)4)11-13-20(22)26(19)23(27)16-8-6-5-7-9-16/h5-15H,1-4H3
InChIKey
ZKURGBYDCVNWKH-UHFFFAOYSA-N
Compound name
[3,7-bis(dimethylamino)phenothiazin-10-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

11
References

6178
Patents

389.1562 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.16348 189.9
[M+Na]+ 412.14542 204.7
[M+NH4]+ 407.19002 199.5
[M+K]+ 428.11936 194.2
[M-H]- 388.14892 197.5
[M+Na-2H]- 410.13087 198.9
[M]+ 389.15565 194.9
[M]- 389.15675 194.9
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