CID 50996844

Az4800

Structural Information

Molecular Formula
C24H29N5O3
SMILES
CC1=CN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(COCC4)C(=N3)COC5CCCC5)OC
InChI
InChI=1S/C24H29N5O3/c1-16-12-29(15-25-16)22-8-7-17(11-23(22)30-2)26-24-27-20-9-10-31-13-19(20)21(28-24)14-32-18-5-3-4-6-18/h7-8,11-12,15,18H,3-6,9-10,13-14H2,1-2H3,(H,26,27,28)
InChIKey
RMRFSIAFQBYBSN-UHFFFAOYSA-N
Compound name
4-(cyclopentyloxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

435.22705 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.23433 203.1
[M+Na]+ 458.21627 207.9
[M-H]- 434.21977 211.9
[M+NH4]+ 453.26087 209.2
[M+K]+ 474.19021 203.3
[M+H-H2O]+ 418.22431 190.7
[M+HCOO]- 480.22525 217.3
[M+CH3COO]- 494.24090 210.4
[M+Na-2H]- 456.20172 200.7
[M]+ 435.22650 203.0
[M]- 435.22760 203.0
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

No patent data available for this compound.