CID 360032

Phenanilamidine

Structural Information

Molecular Formula
C31H25N5O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C5=CC=CC=C53)C6=CC=CC=C6)C
InChI
InChI=1S/C31H25N5O2S/c1-21-20-22(2)33-31(32-21)35-39(37,38)25-18-16-23(17-19-25)34-30-26-12-6-8-14-28(26)36(24-10-4-3-5-11-24)29-15-9-7-13-27(29)30/h3-20H,1-2H3,(H,32,33,35)
InChIKey
KAZUCBWXCIYJSX-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[(10-phenylacridin-9-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

531.1729 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 532.18018 231.1
[M+Na]+ 554.16212 240.8
[M-H]- 530.16562 242.5
[M+NH4]+ 549.20672 234.0
[M+K]+ 570.13606 230.9
[M+H-H2O]+ 514.17016 216.7
[M+HCOO]- 576.17110 245.7
[M+CH3COO]- 590.18675 237.8
[M+Na-2H]- 552.14757 238.9
[M]+ 531.17235 234.7
[M]- 531.17345 234.7
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.