CID 385792

Nsc677186

Structural Information

Molecular Formula
C28H26N10O5S2
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)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C28H26N10O5S2/c29-27(30)37-44(40,41)18-12-8-16(9-13-18)33-26(39)22-6-3-5-21-24(22)34-23-7-2-1-4-20(23)25(21)36-35-17-10-14-19(15-11-17)45(42,43)38-28(31)32/h1-15,35H,(H,33,39)(H,34,36)(H4,29,30,37)(H4,31,32,38)
InChIKey
MBKQJLTXPVDTPV-UHFFFAOYSA-N
Compound name
N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-[2-[4-(diaminomethylideneamino)sulfonylphenyl]hydrazinyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

646.1529 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 647.16018 247.9
[M+Na]+ 669.14212 257.6
[M-H]- 645.14562 248.7
[M+NH4]+ 664.18672 253.8
[M+K]+ 685.11606 252.3
[M+H-H2O]+ 629.15016 230.5
[M+HCOO]- 691.15110 254.7
[M+CH3COO]- 705.16675 257.8
[M+Na-2H]- 667.12757 277.7
[M]+ 646.15235 296.7
[M]- 646.15345 296.7
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.