CID 206284

Brn 0718885

Structural Information

Molecular Formula
C17H17F3N4S
SMILES
C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)CCCN=C(N)N
InChI
InChI=1S/C17H17F3N4S/c18-17(19,20)11-6-7-15-13(10-11)24(9-3-8-23-16(21)22)12-4-1-2-5-14(12)25-15/h1-2,4-7,10H,3,8-9H2,(H4,21,22,23)
InChIKey
RRCNDSPDIRRRDN-UHFFFAOYSA-N
Compound name
2-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.1126 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.11988 178.0
[M+Na]+ 389.10182 185.2
[M-H]- 365.10532 177.6
[M+NH4]+ 384.14642 191.1
[M+K]+ 405.07576 178.3
[M+H-H2O]+ 349.10986 167.4
[M+HCOO]- 411.11080 189.3
[M+CH3COO]- 425.12645 223.9
[M+Na-2H]- 387.08727 181.5
[M]+ 366.11205 173.8
[M]- 366.11315 173.8
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.