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

50
Patents

234.09055 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.09783 159.0
[M+Na]+ 257.07977 172.0
[M-H]- 233.08327 161.7
[M+NH4]+ 252.12437 174.9
[M+K]+ 273.05371 163.9
[M+H-H2O]+ 217.08781 145.2
[M+HCOO]- 279.08875 178.2
[M+CH3COO]- 293.10440 169.7
[M+Na-2H]- 255.06522 166.1
[M]+ 234.09000 152.9
[M]- 234.09110 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