CID 360037

Benzanilamidine

Structural Information

Molecular Formula
C32H27N5O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C5=CC=CC=C53)CC6=CC=CC=C6)C
InChI
InChI=1S/C32H27N5O2S/c1-22-20-23(2)34-32(33-22)36-40(38,39)26-18-16-25(17-19-26)35-31-27-12-6-8-14-29(27)37(21-24-10-4-3-5-11-24)30-15-9-7-13-28(30)31/h3-20H,21H2,1-2H3,(H,33,34,36)
InChIKey
JWBABEKFSBDLIS-UHFFFAOYSA-N
Compound name
4-[(10-benzylacridin-9-ylidene)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

545.18854 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 546.19582 235.0
[M+Na]+ 568.17776 244.1
[M-H]- 544.18126 246.1
[M+NH4]+ 563.22236 237.2
[M+K]+ 584.15170 234.1
[M+H-H2O]+ 528.18580 220.4
[M+HCOO]- 590.18674 249.2
[M+CH3COO]- 604.20239 241.2
[M+Na-2H]- 566.16321 242.3
[M]+ 545.18799 238.8
[M]- 545.18909 238.8
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.