CID 360027

Methanilamidine

Structural Information

Molecular Formula
C26H23N5O2S
SMILES
CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)N=C3C4=CC=CC=C4N(C5=CC=CC=C53)C)C
InChI
InChI=1S/C26H23N5O2S/c1-17-16-18(2)28-26(27-17)30-34(32,33)20-14-12-19(13-15-20)29-25-21-8-4-6-10-23(21)31(3)24-11-7-5-9-22(24)25/h4-16H,1-3H3,(H,27,28,30)
InChIKey
KWCGKYHZOYOXJX-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-4-[(10-methylacridin-9-ylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.15726 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.16454 216.3
[M+Na]+ 492.14648 227.2
[M-H]- 468.14998 225.5
[M+NH4]+ 487.19108 222.6
[M+K]+ 508.12042 218.3
[M+H-H2O]+ 452.15452 203.7
[M+HCOO]- 514.15546 231.7
[M+CH3COO]- 528.17111 224.6
[M+Na-2H]- 490.13193 224.0
[M]+ 469.15671 221.5
[M]- 469.15781 221.5
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.