CID 56927063

Senexin a

Structural Information

Molecular Formula
C17H14N4
SMILES
C1=CC=C(C=C1)CCNC2=NC=NC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C17H14N4/c18-11-14-6-7-16-15(10-14)17(21-12-20-16)19-9-8-13-4-2-1-3-5-13/h1-7,10,12H,8-9H2,(H,19,20,21)
InChIKey
XBJCNHGQFJFCOY-UHFFFAOYSA-N
Compound name
4-(2-phenylethylamino)quinazoline-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

147
Patents

274.12186 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.129136 165.8
[M+Na]+ 297.111078 175.5
[M-H]- 273.114584 168.1
[M+NH4]+ 292.155683 177.6
[M+K]+ 313.085018 167.1
[M+H-H2O]+ 257.119120 149.2
[M+HCOO]- 319.120061 183.1
[M+CH3COO]- 333.135711 174.7
[M+Na-2H]- 295.096526 173.1
[M]+ 274.12131142 159.8
[M]- 274.12240858 159.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe