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 180.2
[M+Na]+ 354.15365 187.8
[M-H]- 330.15715 185.8
[M+NH4]+ 349.19825 191.1
[M+K]+ 370.12759 185.7
[M+H-H2O]+ 314.16169 170.1
[M+HCOO]- 376.16263 203.3
[M+CH3COO]- 390.17828 222.7
[M+Na-2H]- 352.13910 181.2
[M]+ 331.16388 183.0
[M]- 331.16498 183.0
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.