CID 135646959

294668-14-7

Structural Information

Molecular Formula
C20H22N4O2S
SMILES
CCOC1=C(C=CC(=C1)/C=N/NC2=C3C4=C(CCCC4)SC3=NC(=N2)C)O
InChI
InChI=1S/C20H22N4O2S/c1-3-26-16-10-13(8-9-15(16)25)11-21-24-19-18-14-6-4-5-7-17(14)27-20(18)23-12(2)22-19/h8-11,25H,3-7H2,1-2H3,(H,22,23,24)/b21-11+
InChIKey
SKOGNIXALPTJEF-SRZZPIQSSA-N
Compound name
2-ethoxy-4-[(E)-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)hydrazinylidene]methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.14636 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.15364 186.9
[M+Na]+ 405.13558 195.8
[M-H]- 381.13908 193.1
[M+NH4]+ 400.18018 200.4
[M+K]+ 421.10952 189.3
[M+H-H2O]+ 365.14362 178.2
[M+HCOO]- 427.14456 203.3
[M+CH3COO]- 441.16021 196.9
[M+Na-2H]- 403.12103 190.3
[M]+ 382.14581 191.4
[M]- 382.14691 191.4
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.