CID 9636349

9-anthracenecarbaldehyde n-(3-methylphenyl)thiosemicarbazone

Structural Information

Molecular Formula
C23H19N3S
SMILES
CC1=CC(=CC=C1)NC(=S)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C23H19N3S/c1-16-7-6-10-19(13-16)25-23(27)26-24-15-22-20-11-4-2-8-17(20)14-18-9-3-5-12-21(18)22/h2-15H,1H3,(H2,25,26,27)/b24-15+
InChIKey
ZSXGLFZVOVPDFR-BUVRLJJBSA-N
Compound name
1-[(E)-anthracen-9-ylmethylideneamino]-3-(3-methylphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.12997 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13725 183.7
[M+Na]+ 392.11919 191.5
[M-H]- 368.12269 193.0
[M+NH4]+ 387.16379 198.3
[M+K]+ 408.09313 183.6
[M+H-H2O]+ 352.12723 174.4
[M+HCOO]- 414.12817 204.6
[M+CH3COO]- 428.14382 194.2
[M+Na-2H]- 390.10464 191.3
[M]+ 369.12942 185.8
[M]- 369.13052 185.8
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.