CID 6509883

Hydrazinecarbothioamide, 2-(5,7,8,9-tetrahydro-2,3,4-trimethoxy-6h-benzocyclohepten-6-ylidene)-

Structural Information

Molecular Formula
C15H21N3O3S
SMILES
COC1=C(C(=C2C/C(=N\NC(=S)N)/CCCC2=C1)OC)OC
InChI
InChI=1S/C15H21N3O3S/c1-19-12-7-9-5-4-6-10(17-18-15(16)22)8-11(9)13(20-2)14(12)21-3/h7H,4-6,8H2,1-3H3,(H3,16,18,22)/b17-10-
InChIKey
XXDOBLSPYAARGH-YVLHZVERSA-N
Compound name
[(Z)-(2,3,4-trimethoxy-5,7,8,9-tetrahydrobenzo[7]annulen-6-ylidene)amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.13037 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.137646 172.9
[M+Na]+ 346.119588 176.2
[M-H]- 322.123094 178.7
[M+NH4]+ 341.164193 187.3
[M+K]+ 362.093528 179.3
[M+H-H2O]+ 306.127630 165.8
[M+HCOO]- 368.128571 190.0
[M+CH3COO]- 382.144221 216.8
[M+Na-2H]- 344.105036 173.4
[M]+ 323.12982142 171.9
[M]- 323.13091858 171.9
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.