CID 5369124

87587-04-0

Structural Information

Molecular Formula
C14H20N4OS
SMILES
C/C(=C\1/C=CC=CN1O)/N=NC(=S)N2CCCCCC2
InChI
InChI=1S/C14H20N4OS/c1-12(13-8-4-7-11-18(13)19)15-16-14(20)17-9-5-2-3-6-10-17/h4,7-8,11,19H,2-3,5-6,9-10H2,1H3/b13-12+,16-15?
InChIKey
GFJNMNNUJLCZEE-JQQLJDQISA-N
Compound name
N-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]iminoazepane-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.14305 168.7
[M+Na]+ 315.12499 169.8
[M-H]- 291.12849 173.5
[M+NH4]+ 310.16959 180.4
[M+K]+ 331.09893 171.5
[M+H-H2O]+ 275.13303 158.6
[M+HCOO]- 337.13397 181.3
[M+CH3COO]- 351.14962 205.0
[M+Na-2H]- 313.11044 168.0
[M]+ 292.13522 160.9
[M]- 292.13632 160.9
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.