CID 324514

61607-77-0

Structural Information

Molecular Formula
C12H14N4S
SMILES
C1CSCC2C1=NC3=CC=CC=C3N=C2NN
InChI
InChI=1S/C12H14N4S/c13-16-12-8-7-17-6-5-9(8)14-10-3-1-2-4-11(10)15-12/h1-4,8H,5-7,13H2,(H,15,16)
InChIKey
UVGIGLOXRMNUIJ-UHFFFAOYSA-N
Compound name
1,2,4,4a-tetrahydrothiopyrano[4,3-b][1,5]benzodiazepin-5-ylhydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.09392 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10120 151.3
[M+Na]+ 269.08314 157.7
[M-H]- 245.08664 154.5
[M+NH4]+ 264.12774 167.0
[M+K]+ 285.05708 157.2
[M+H-H2O]+ 229.09118 143.9
[M+HCOO]- 291.09212 165.3
[M+CH3COO]- 305.10777 161.7
[M+Na-2H]- 267.06859 157.9
[M]+ 246.09337 146.0
[M]- 246.09447 146.0
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

No patent data available for this compound.