CID 24894153

(2s)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine

Structural Information

Molecular Formula
C8H10N2OS
SMILES
C[C@H]1CN=C(C2=C(O1)C=CS2)N
InChI
InChI=1S/C8H10N2OS/c1-5-4-10-8(9)7-6(11-5)2-3-12-7/h2-3,5H,4H2,1H3,(H2,9,10)/t5-/m0/s1
InChIKey
TUOXPJFCQDMQOX-YFKPBYRVSA-N
Compound name
(2S)-2-methyl-2,3-dihydrothieno[2,3-f][1,4]oxazepin-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

182.05139 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.058666 135.0
[M+Na]+ 205.040608 142.5
[M-H]- 181.044114 140.1
[M+NH4]+ 200.085213 154.2
[M+K]+ 221.014548 144.8
[M+H-H2O]+ 165.048650 129.4
[M+HCOO]- 227.049591 151.7
[M+CH3COO]- 241.065241 148.0
[M+Na-2H]- 203.026056 138.4
[M]+ 182.05084142 133.2
[M]- 182.05193858 133.2
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