CID 2359994

Tubulin inhibitor 6

Structural Information

Molecular Formula
C20H14ClNO2S
SMILES
COC1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C20H14ClNO2S/c1-24-15-9-6-13(7-10-15)20(23)22-16-4-2-3-5-18(16)25-19-11-8-14(21)12-17(19)22/h2-12H,1H3
InChIKey
CSWHYHPUEDNIQY-UHFFFAOYSA-N
Compound name
(2-chlorophenothiazin-10-yl)-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

367.04337 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.05065 180.7
[M+Na]+ 390.03259 198.9
[M+NH4]+ 385.07719 191.2
[M+K]+ 406.00653 186.6
[M-H]- 366.03609 187.1
[M+Na-2H]- 388.01804 189.9
[M]+ 367.04282 186.3
[M]- 367.04392 186.3
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