CID 6876730

10273-86-6

Structural Information

Molecular Formula
C22H18N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N/N=C/C2=C3C=CC=CC3=CC4=CC=CC=C42
InChI
InChI=1S/C22H18N2O2S/c1-16-10-12-19(13-11-16)27(25,26)24-23-15-22-20-8-4-2-6-17(20)14-18-7-3-5-9-21(18)22/h2-15,24H,1H3/b23-15+
InChIKey
GRTHRNWYJRZGOB-HZHRSRAPSA-N
Compound name
N-[(E)-anthracen-9-ylmethylideneamino]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

374.1089 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11618 186.0
[M+Na]+ 397.09812 195.4
[M-H]- 373.10162 195.8
[M+NH4]+ 392.14272 200.5
[M+K]+ 413.07206 188.5
[M+H-H2O]+ 357.10616 176.9
[M+HCOO]- 419.10710 206.2
[M+CH3COO]- 433.12275 197.1
[M+Na-2H]- 395.08357 195.2
[M]+ 374.10835 190.6
[M]- 374.10945 190.6
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