CID 516677

651359-36-3

Structural Information

Molecular Formula
C15H13BrN4O
SMILES
C1=CC=C2C(=C1)C(=CC=C2Br)COC3=CN=C(N=C3N)N
InChI
InChI=1S/C15H13BrN4O/c16-12-6-5-9(10-3-1-2-4-11(10)12)8-21-13-7-19-15(18)20-14(13)17/h1-7H,8H2,(H4,17,18,19,20)
InChIKey
HIIAMFVEZURTAK-UHFFFAOYSA-N
Compound name
5-[(4-bromonaphthalen-1-yl)methoxy]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.02728 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.03456 169.6
[M+Na]+ 367.01650 181.1
[M-H]- 343.02000 176.5
[M+NH4]+ 362.06110 184.2
[M+K]+ 382.99044 167.6
[M+H-H2O]+ 327.02454 166.2
[M+HCOO]- 389.02548 189.1
[M+CH3COO]- 403.04113 182.0
[M+Na-2H]- 365.00195 177.1
[M]+ 344.02673 187.0
[M]- 344.02783 187.0
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.