CID 155458006

2577196-14-4

Structural Information

Molecular Formula
C13H15N3O3S
SMILES
CC1=C2C(=NC=C1)C=C(S2)C(=O)NC[C@H](C(=O)OC)N
InChI
InChI=1S/C13H15N3O3S/c1-7-3-4-15-9-5-10(20-11(7)9)12(17)16-6-8(14)13(18)19-2/h3-5,8H,6,14H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKey
SUGRDOJCIVCHJP-MRVPVSSYSA-N
Compound name
methyl (2R)-2-amino-3-[(7-methylthieno[3,2-b]pyridine-2-carbonyl)amino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

293.0834 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.090676 165.6
[M+Na]+ 316.072618 173.2
[M-H]- 292.076124 168.9
[M+NH4]+ 311.117223 182.3
[M+K]+ 332.046558 170.3
[M+H-H2O]+ 276.080660 158.6
[M+HCOO]- 338.081601 183.6
[M+CH3COO]- 352.097251 204.3
[M+Na-2H]- 314.058066 166.2
[M]+ 293.08285142 170.0
[M]- 293.08394858 170.0
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

patents stripe