CID 68755

Aditoprim

Structural Information

Molecular Formula
C15H21N5O2
SMILES
CN(C)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C15H21N5O2/c1-20(2)13-11(21-3)6-9(7-12(13)22-4)5-10-8-18-15(17)19-14(10)16/h6-8H,5H2,1-4H3,(H4,16,17,18,19)
InChIKey
QBQMXWZTRRWPGK-UHFFFAOYSA-N
Compound name
5-[[4-(dimethylamino)-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

30
References

131
Patents

303.16953 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.17681 173.7
[M+Na]+ 326.15875 181.9
[M-H]- 302.16225 179.3
[M+NH4]+ 321.20335 186.0
[M+K]+ 342.13269 179.3
[M+H-H2O]+ 286.16679 163.8
[M+HCOO]- 348.16773 197.8
[M+CH3COO]- 362.18338 217.9
[M+Na-2H]- 324.14420 176.2
[M]+ 303.16898 176.1
[M]- 303.17008 176.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe