CID 6338137

16914-02-6

Structural Information

Molecular Formula
C14H19N3PS
SMILES
CCN(CC)[P+](=S)C1=CC=C(C=C1)N2C=CN=C2C
InChI
InChI=1S/C14H19N3PS/c1-4-16(5-2)18(19)14-8-6-13(7-9-14)17-11-10-15-12(17)3/h6-11H,4-5H2,1-3H3/q+1
InChIKey
NSKDUFXNZFHLBW-UHFFFAOYSA-N
Compound name
diethylamino-[4-(2-methylimidazol-1-yl)phenyl]-sulfanylidenephosphanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.10373 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11101 163.4
[M+Na]+ 315.09295 170.4
[M-H]- 291.09645 168.5
[M+NH4]+ 310.13755 179.4
[M+K]+ 331.06689 161.8
[M+H-H2O]+ 275.10099 155.1
[M+HCOO]- 337.10193 186.6
[M+CH3COO]- 351.11758 201.5
[M+Na-2H]- 313.07840 162.2
[M]+ 292.10318 165.8
[M]- 292.10428 165.8
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.