CID 370668

Nsc644044

Structural Information

Molecular Formula
C21H17N5O3S
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
InChI
InChI=1S/C21H17N5O3S/c22-21(23)26-30(28,29)16-10-8-15(9-11-16)24-20(27)17-6-3-5-14-12-13-4-1-2-7-18(13)25-19(14)17/h1-12H,(H,24,27)(H4,22,23,26)
InChIKey
VWLNAVUASYRUIG-UHFFFAOYSA-N
Compound name
N-[4-(diaminomethylideneamino)sulfonylphenyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.10522 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.11250 192.2
[M+Na]+ 442.09444 199.2
[M-H]- 418.09794 199.4
[M+NH4]+ 437.13904 201.7
[M+K]+ 458.06838 193.5
[M+H-H2O]+ 402.10248 182.6
[M+HCOO]- 464.10342 210.3
[M+CH3COO]- 478.11907 200.9
[M+Na-2H]- 440.07989 200.8
[M]+ 419.10467 193.3
[M]- 419.10577 193.3
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.