CID 384528

Nsc674499

Structural Information

Molecular Formula
C23H22N6O4S
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C23H22N6O4S/c24-23(25)29-34(32,33)15-10-8-14(9-11-15)27-20-16-4-1-2-7-19(16)28-21-17(20)5-3-6-18(21)22(31)26-12-13-30/h1-11,30H,12-13H2,(H,26,31)(H,27,28)(H4,24,25,29)
InChIKey
AUTMXMFUXGDCLM-UHFFFAOYSA-N
Compound name
9-[4-(diaminomethylideneamino)sulfonylanilino]-N-(2-hydroxyethyl)acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.14233 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.14961 203.2
[M+Na]+ 501.13155 208.3
[M-H]- 477.13505 208.9
[M+NH4]+ 496.17615 209.4
[M+K]+ 517.10549 203.0
[M+H-H2O]+ 461.13959 193.5
[M+HCOO]- 523.14053 220.2
[M+CH3COO]- 537.15618 247.3
[M+Na-2H]- 499.11700 211.7
[M]+ 478.14178 204.4
[M]- 478.14288 204.4
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.