CID 374832

Nsc653255

Structural Information

Molecular Formula
C24H22N2O3S
SMILES
CN1C2=CC=CC=C2SC3=C1C(=C(C=C3)CC4=CC(=C(C(=C4)OC)OC)OC)C#N
InChI
InChI=1S/C24H22N2O3S/c1-26-18-7-5-6-8-21(18)30-22-10-9-16(17(14-25)23(22)26)11-15-12-19(27-2)24(29-4)20(13-15)28-3/h5-10,12-13H,11H2,1-4H3
InChIKey
KUWACKAFOGCBMW-UHFFFAOYSA-N
Compound name
10-methyl-2-[(3,4,5-trimethoxyphenyl)methyl]phenothiazine-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.1351 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.14238 204.4
[M+Na]+ 441.12432 216.5
[M-H]- 417.12782 210.1
[M+NH4]+ 436.16892 215.1
[M+K]+ 457.09826 207.9
[M+H-H2O]+ 401.13236 189.0
[M+HCOO]- 463.13330 214.4
[M+CH3COO]- 477.14895 212.3
[M+Na-2H]- 439.10977 204.8
[M]+ 418.13455 206.2
[M]- 418.13565 206.2
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

No patent data available for this compound.