CID 479106

5-[(8-bromo-7-methoxy-4h-chromen-5-yl)methyl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C15H15BrN4O2
SMILES
COC1=C(C2=C(CC=CO2)C(=C1)CC3=CN=C(N=C3N)N)Br
InChI
InChI=1S/C15H15BrN4O2/c1-21-11-6-8(5-9-7-19-15(18)20-14(9)17)10-3-2-4-22-13(10)12(11)16/h2,4,6-7H,3,5H2,1H3,(H4,17,18,19,20)
InChIKey
UNWSHCCNBIVHDJ-UHFFFAOYSA-N
Compound name
5-[(8-bromo-7-methoxy-4H-chromen-5-yl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.03784 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.04512 176.9
[M+Na]+ 385.02706 188.2
[M-H]- 361.03056 184.3
[M+NH4]+ 380.07166 189.7
[M+K]+ 401.00100 176.4
[M+H-H2O]+ 345.03510 173.1
[M+HCOO]- 407.03604 194.2
[M+CH3COO]- 421.05169 188.8
[M+Na-2H]- 383.01251 182.9
[M]+ 362.03729 195.2
[M]- 362.03839 195.2
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.