CID 5357581

Nsc 81327

Structural Information

Molecular Formula
C17H16N4O2S
SMILES
CCOC(=O)NC1=CC\2=C(C=C1)C3=CC=CC=C3/C2=N\NC(=S)N
InChI
InChI=1S/C17H16N4O2S/c1-2-23-17(22)19-10-7-8-12-11-5-3-4-6-13(11)15(14(12)9-10)20-21-16(18)24/h3-9H,2H2,1H3,(H,19,22)(H3,18,21,24)/b20-15+
InChIKey
BSEFXBZJKBHWQM-HMMYKYKNSA-N
Compound name
ethyl N-[(9E)-9-(carbamothioylhydrazinylidene)fluoren-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.0994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.10668 174.7
[M+Na]+ 363.08862 181.3
[M-H]- 339.09212 180.8
[M+NH4]+ 358.13322 191.9
[M+K]+ 379.06256 176.7
[M+H-H2O]+ 323.09666 167.6
[M+HCOO]- 385.09760 195.5
[M+CH3COO]- 399.11325 220.6
[M+Na-2H]- 361.07407 178.4
[M]+ 340.09885 176.8
[M]- 340.09995 176.8
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.