CID 360955

Nsc623683

Structural Information

Molecular Formula
C14H10N2O2S2
SMILES
CC1=C(SC2=C1N3C=CC=CC3=C2SC#N)C(=O)OC
InChI
InChI=1S/C14H10N2O2S2/c1-8-10-13(20-11(8)14(17)18-2)12(19-7-15)9-5-3-4-6-16(9)10/h3-6H,1-2H3
InChIKey
WTJDVYJILUJYQA-UHFFFAOYSA-N
Compound name
methyl 1-methyl-4-thiocyanatothieno[2,3-b]indolizine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.01837 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02565 179.5
[M+Na]+ 325.00759 195.8
[M-H]- 301.01109 185.2
[M+NH4]+ 320.05219 199.0
[M+K]+ 340.98153 189.4
[M+H-H2O]+ 285.01563 168.7
[M+HCOO]- 347.01657 191.0
[M+CH3COO]- 361.03222 191.2
[M+Na-2H]- 322.99304 178.9
[M]+ 302.01782 184.6
[M]- 302.01892 184.6
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.