CID 526182

1h-pyrrolo[2,1-c][1,4]thiazine

Structural Information

Molecular Formula
C7H7NS
SMILES
C1C2=CC=CN2C=CS1
InChI
InChI=1S/C7H7NS/c1-2-7-6-9-5-4-8(7)3-1/h1-5H,6H2
InChIKey
LMFZCLWJOUSWGP-UHFFFAOYSA-N
Compound name
1H-pyrrolo[2,1-c][1,4]thiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

137.02992 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.03720 123.4
[M+Na]+ 160.01914 133.0
[M-H]- 136.02264 127.1
[M+NH4]+ 155.06374 147.5
[M+K]+ 175.99308 130.7
[M+H-H2O]+ 120.02718 118.2
[M+HCOO]- 182.02812 141.8
[M+CH3COO]- 196.04377 138.1
[M+Na-2H]- 158.00459 129.0
[M]+ 137.02937 123.9
[M]- 137.03047 123.9
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.