CID 44611919

Aag-1

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CC1=CC2=C(N=C(N=C2O1)C)N(C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C16H17N3O2/c1-10-9-14-15(17-11(2)18-16(14)21-10)19(3)12-5-7-13(20-4)8-6-12/h5-9H,1-4H3
InChIKey
KVMLMFRXRZLEGU-UHFFFAOYSA-N
Compound name
N-(4-methoxyphenyl)-N,2,6-trimethylfuro[2,3-d]pyrimidin-4-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

31
Patents

283.13208 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 165.6
[M+Na]+ 306.12130 176.6
[M-H]- 282.12480 174.0
[M+NH4]+ 301.16590 181.2
[M+K]+ 322.09524 174.5
[M+H-H2O]+ 266.12934 156.6
[M+HCOO]- 328.13028 189.6
[M+CH3COO]- 342.14593 179.1
[M+Na-2H]- 304.10675 171.2
[M]+ 283.13153 172.9
[M]- 283.13263 172.9
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