CID 364439

Amiguanidine

Structural Information

Molecular Formula
C25H27N7O3S
SMILES
CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N
InChI
InChI=1S/C25H27N7O3S/c1-32(2)15-14-28-24(33)20-8-5-7-19-22(18-6-3-4-9-21(18)30-23(19)20)29-16-10-12-17(13-11-16)36(34,35)31-25(26)27/h3-13H,14-15H2,1-2H3,(H,28,33)(H,29,30)(H4,26,27,31)
InChIKey
SCZUITFXVHBLTM-UHFFFAOYSA-N
Compound name
9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

505.1896 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.19688 213.0
[M+Na]+ 528.17882 216.9
[M-H]- 504.18232 220.7
[M+NH4]+ 523.22342 218.9
[M+K]+ 544.15276 212.9
[M+H-H2O]+ 488.18686 202.2
[M+HCOO]- 550.18780 231.8
[M+CH3COO]- 564.20345 260.6
[M+Na-2H]- 526.16427 220.7
[M]+ 505.18905 215.6
[M]- 505.19015 215.6
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.