CID 387536

Nsc681446

Structural Information

Molecular Formula
C19H24NO3PS
SMILES
CC1=CSC2=C(C(=CN12)C3=CC=CC=C3)P(=O)(OC(C)C)OC(C)C
InChI
InChI=1S/C19H24NO3PS/c1-13(2)22-24(21,23-14(3)4)18-17(16-9-7-6-8-10-16)11-20-15(5)12-25-19(18)20/h6-14H,1-5H3
InChIKey
LEWFPIWHFSAZIZ-UHFFFAOYSA-N
Compound name
7-di(propan-2-yloxy)phosphoryl-3-methyl-6-phenylpyrrolo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.12146 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.12874 189.8
[M+Na]+ 400.11068 198.0
[M-H]- 376.11418 196.4
[M+NH4]+ 395.15528 206.6
[M+K]+ 416.08462 195.5
[M+H-H2O]+ 360.11872 181.3
[M+HCOO]- 422.11966 211.6
[M+CH3COO]- 436.13531 218.0
[M+Na-2H]- 398.09613 184.8
[M]+ 377.12091 199.2
[M]- 377.12201 199.2
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.