CID 435038

Ctx1

Structural Information

Molecular Formula
C14H10N4
SMILES
C1=CC2=C(C=C1N)N=C3C=C(C=CC3=C2C#N)N
InChI
InChI=1S/C14H10N4/c15-7-12-10-3-1-8(16)5-13(10)18-14-6-9(17)2-4-11(12)14/h1-6H,16-17H2
InChIKey
PUMGFEMNXBLDKD-UHFFFAOYSA-N
Compound name
3,6-diaminoacridine-9-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

234.09055 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.097826 159.0
[M+Na]+ 257.079768 172.0
[M-H]- 233.083274 161.7
[M+NH4]+ 252.124373 174.9
[M+K]+ 273.053708 163.9
[M+H-H2O]+ 217.087810 145.2
[M+HCOO]- 279.088751 178.2
[M+CH3COO]- 293.104401 169.7
[M+Na-2H]- 255.065216 166.1
[M]+ 234.09000142 152.9
[M]- 234.09109858 152.9
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

patents stripe