CID 385786

Nsc677180

Structural Information

Molecular Formula
C28H23N7O5S
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)NNC5=CC=C(C=C5)C(=O)O
InChI
InChI=1S/C28H23N7O5S/c29-28(30)35-41(39,40)19-14-12-17(13-15-19)31-26(36)22-6-3-5-21-24(22)32-23-7-2-1-4-20(23)25(21)34-33-18-10-8-16(9-11-18)27(37)38/h1-15,33H,(H,31,36)(H,32,34)(H,37,38)(H4,29,30,35)
InChIKey
BVTJJZCYSRSDES-UHFFFAOYSA-N
Compound name
4-[2-[4-[[4-(diaminomethylideneamino)sulfonylphenyl]carbamoyl]acridin-9-yl]hydrazinyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

569.14813 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 570.15541 219.6
[M+Na]+ 592.13735 222.6
[M-H]- 568.14085 227.8
[M+NH4]+ 587.18195 220.8
[M+K]+ 608.11129 218.7
[M+H-H2O]+ 552.14539 208.6
[M+HCOO]- 614.14633 236.1
[M+CH3COO]- 628.16198 267.3
[M+Na-2H]- 590.12280 229.2
[M]+ 569.14758 219.9
[M]- 569.14868 219.9
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.