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 160.8
[M+Na]+ 315.09295 174.2
[M+NH4]+ 310.13755 169.8
[M+K]+ 331.06689 168.3
[M-H]- 291.09645 166.0
[M+Na-2H]- 313.07840 168.5
[M]+ 292.10318 164.9
[M]- 292.10428 164.9
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.