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

4
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

literature stripe

Patent stripe

patents stripe