CID 322309

Nsc279249

Structural Information

Molecular Formula
C16H11NS2
SMILES
C1=CC=C2C(=C1)C(=CC3=C2NC4=CC=CC=C4S3)S
InChI
InChI=1S/C16H11NS2/c18-13-9-15-16(11-6-2-1-5-10(11)13)17-12-7-3-4-8-14(12)19-15/h1-9,17-18H
InChIKey
GYMRIRBDPIBSFF-UHFFFAOYSA-N
Compound name
12H-benzo[a]phenothiazine-5-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0333 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.04058 151.8
[M+Na]+ 304.02252 162.3
[M-H]- 280.02602 154.9
[M+NH4]+ 299.06712 170.0
[M+K]+ 319.99646 154.4
[M+H-H2O]+ 264.03056 145.9
[M+HCOO]- 326.03150 159.3
[M+CH3COO]- 340.04715 163.0
[M+Na-2H]- 302.00797 159.0
[M]+ 281.03275 152.8
[M]- 281.03385 152.8
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.