CID 9657893

9-anthracenecarbaldehyde n-ethylthiosemicarbazone

Structural Information

Molecular Formula
C18H17N3S
SMILES
CCNC(=S)N/N=C/C1=C2C=CC=CC2=CC3=CC=CC=C31
InChI
InChI=1S/C18H17N3S/c1-2-19-18(22)21-20-12-17-15-9-5-3-7-13(15)11-14-8-4-6-10-16(14)17/h3-12H,2H2,1H3,(H2,19,21,22)/b20-12+
InChIKey
PPVXQFXSZITMGN-UDWIEESQSA-N
Compound name
1-[(E)-anthracen-9-ylmethylideneamino]-3-ethylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.11432 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12160 168.7
[M+Na]+ 330.10354 182.4
[M+NH4]+ 325.14814 178.6
[M+K]+ 346.07748 170.7
[M-H]- 306.10704 175.1
[M+Na-2H]- 328.08899 177.3
[M]+ 307.11377 173.0
[M]- 307.11487 173.0
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.