CID 4367988

(2-amino-thiazol-4-yl)-triphenyl-phosphonium, perchlorate

Structural Information

Molecular Formula
C21H18N2PS
SMILES
C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CSC(=N4)N
InChI
InChI=1S/C21H18N2PS/c22-21-23-20(16-25-21)24(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H,(H2,22,23)/q+1
InChIKey
YWABMIFFPNDFNI-UHFFFAOYSA-N
Compound name
(2-amino-1,3-thiazol-4-yl)-triphenylphosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.09283 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.10011 183.4
[M+Na]+ 384.08205 189.2
[M-H]- 360.08555 193.3
[M+NH4]+ 379.12665 195.6
[M+K]+ 400.05599 176.9
[M+H-H2O]+ 344.09009 174.0
[M+HCOO]- 406.09103 206.2
[M+CH3COO]- 420.10668 207.2
[M+Na-2H]- 382.06750 185.2
[M]+ 361.09228 180.3
[M]- 361.09338 180.3
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.