CID 3058223

Brn 6073151

Structural Information

Molecular Formula
C16H21N5O3
SMILES
CN(C)C(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C16H21N5O3/c1-21(2)15(22)13-11(23-3)6-9(7-12(13)24-4)5-10-8-19-16(18)20-14(10)17/h6-8H,5H2,1-4H3,(H4,17,18,19,20)
InChIKey
FNUHDZQFFYGALC-UHFFFAOYSA-N
Compound name
4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxy-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.16443 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.17171 179.1
[M+Na]+ 354.15365 189.9
[M+NH4]+ 349.19825 183.8
[M+K]+ 370.12759 185.8
[M-H]- 330.15715 182.4
[M+Na-2H]- 352.13910 184.5
[M]+ 331.16388 181.2
[M]- 331.16498 181.2
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.