CID 3740914

4-imino-4h-pyrido[1,2-a]pyrimidine-3-carbonitrile

Structural Information

Molecular Formula
C9H6N4
SMILES
C1=CC2=NC=C(C(=N)N2C=C1)C#N
InChI
InChI=1S/C9H6N4/c10-5-7-6-12-8-3-1-2-4-13(8)9(7)11/h1-4,6,11H
InChIKey
KMWAQVDAPTVHQR-UHFFFAOYSA-N
Compound name
4-iminopyrido[1,2-a]pyrimidine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

170.05925 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.06653 135.8
[M+Na]+ 193.04847 147.4
[M-H]- 169.05197 136.9
[M+NH4]+ 188.09307 152.2
[M+K]+ 209.02241 142.2
[M+H-H2O]+ 153.05651 121.5
[M+HCOO]- 215.05745 154.7
[M+CH3COO]- 229.07310 147.4
[M+Na-2H]- 191.03392 144.9
[M]+ 170.05870 129.4
[M]- 170.05980 129.4
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

patents stripe