CID 387535

Nsc681445

Structural Information

Molecular Formula
C14H22NO3PS
SMILES
CC1=CN2C(=CSC2=C1P(=O)(OC(C)C)OC(C)C)C
InChI
InChI=1S/C14H22NO3PS/c1-9(2)17-19(16,18-10(3)4)13-11(5)7-15-12(6)8-20-14(13)15/h7-10H,1-6H3
InChIKey
TWWOLLMNFVRBCW-UHFFFAOYSA-N
Compound name
7-di(propan-2-yloxy)phosphoryl-3,6-dimethylpyrrolo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1058 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11308 173.2
[M+Na]+ 338.09502 182.3
[M-H]- 314.09852 176.7
[M+NH4]+ 333.13962 193.0
[M+K]+ 354.06896 181.1
[M+H-H2O]+ 298.10306 166.0
[M+HCOO]- 360.10400 195.0
[M+CH3COO]- 374.11965 207.6
[M+Na-2H]- 336.08047 168.7
[M]+ 315.10525 183.5
[M]- 315.10635 183.5
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.