CID 385623

Nsc676962

Structural Information

Molecular Formula
C16H14ClF3N2S
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C(=C(C(=C3F)N)F)F)CCCCCl
InChI
InChI=1S/C16H14ClF3N2S/c17-7-3-4-8-22-9-5-1-2-6-10(9)23-16-12(19)11(18)14(21)13(20)15(16)22/h1-2,5-6H,3-4,7-8,21H2
InChIKey
LNIQQOSWYCHZHX-UHFFFAOYSA-N
Compound name
10-(4-chlorobutyl)-1,3,4-trifluorophenothiazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.05182 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.05910 173.6
[M+Na]+ 381.04104 185.2
[M-H]- 357.04454 173.3
[M+NH4]+ 376.08564 189.1
[M+K]+ 397.01498 176.3
[M+H-H2O]+ 341.04908 164.6
[M+HCOO]- 403.05002 180.1
[M+CH3COO]- 417.06567 183.4
[M+Na-2H]- 379.02649 174.1
[M]+ 358.05127 174.7
[M]- 358.05237 174.7
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.