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 166.4
[M+Na]+ 330.10354 174.2
[M-H]- 306.10704 172.8
[M+NH4]+ 325.14814 183.9
[M+K]+ 346.07748 167.7
[M+H-H2O]+ 290.11158 158.5
[M+HCOO]- 352.11252 187.7
[M+CH3COO]- 366.12817 177.9
[M+Na-2H]- 328.08899 174.5
[M]+ 307.11377 169.0
[M]- 307.11487 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.