CID 364447

Azacridoguanidine

Structural Information

Molecular Formula
C20H16N6O4S
SMILES
C1=CC=C2C(=C1)C(=O)N3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C20H16N6O4S/c21-20(22)25-31(29,30)13-9-7-12(8-10-13)23-18(27)15-5-3-11-26-17(15)24-16-6-2-1-4-14(16)19(26)28/h1-11H,(H,23,27)(H4,21,22,25)
InChIKey
XYTUKSJGACLSMW-UHFFFAOYSA-N
Compound name
N-[4-(diaminomethylideneamino)sulfonylphenyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.09537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.10265 196.1
[M+Na]+ 459.08459 204.2
[M-H]- 435.08809 202.6
[M+NH4]+ 454.12919 203.6
[M+K]+ 475.05853 198.6
[M+H-H2O]+ 419.09263 186.2
[M+HCOO]- 481.09357 213.4
[M+CH3COO]- 495.10922 237.3
[M+Na-2H]- 457.07004 205.1
[M]+ 436.09482 198.4
[M]- 436.09592 198.4
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.