CID 7575252

1-naphthaldehyde n-phenylthiosemicarbazone

Structural Information

Molecular Formula
C18H15N3S
SMILES
C1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C18H15N3S/c22-18(20-16-10-2-1-3-11-16)21-19-13-15-9-6-8-14-7-4-5-12-17(14)15/h1-13H,(H2,20,21,22)/b19-13+
InChIKey
PVQDDACNFDEBIC-CPNJWEJPSA-N
Compound name
1-[(E)-naphthalen-1-ylmethylideneamino]-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.09866 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.10594 166.6
[M+Na]+ 328.08788 172.6
[M-H]- 304.09138 174.8
[M+NH4]+ 323.13248 182.4
[M+K]+ 344.06182 166.2
[M+H-H2O]+ 288.09592 157.9
[M+HCOO]- 350.09686 188.2
[M+CH3COO]- 364.11251 177.6
[M+Na-2H]- 326.07333 173.7
[M]+ 305.09811 166.1
[M]- 305.09921 166.1
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

patents stripe