CID 370660

Nsc644036

Structural Information

Molecular Formula
C21H18N6O3S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)N
InChI
InChI=1S/C21H18N6O3S/c22-18-14-4-1-2-7-17(14)26-19-15(18)5-3-6-16(19)20(28)25-12-8-10-13(11-9-12)31(29,30)27-21(23)24/h1-11H,(H2,22,26)(H,25,28)(H4,23,24,27)
InChIKey
LAXUPBAPADZLEF-UHFFFAOYSA-N
Compound name
9-amino-N-[4-(diaminomethylideneamino)sulfonylphenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.11612 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.12340 194.7
[M+Na]+ 457.10534 201.6
[M-H]- 433.10884 201.7
[M+NH4]+ 452.14994 203.3
[M+K]+ 473.07928 196.1
[M+H-H2O]+ 417.11338 185.2
[M+HCOO]- 479.11432 213.0
[M+CH3COO]- 493.12997 240.7
[M+Na-2H]- 455.09079 202.8
[M]+ 434.11557 194.8
[M]- 434.11667 194.8
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.