CID 25187896

6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C19H24N4O3
SMILES
CC1=C(C(=NC(=N1)N)N)C#CC(C)(C)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C19H24N4O3/c1-11-13(17(20)23-18(21)22-11)7-8-19(2,3)12-9-14(24-4)16(26-6)15(10-12)25-5/h9-10H,1-6H3,(H4,20,21,22,23)
InChIKey
FJNFXXGWYVMQNA-UHFFFAOYSA-N
Compound name
6-methyl-5-[3-methyl-3-(3,4,5-trimethoxyphenyl)but-1-ynyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

356.18484 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.19212 190.5
[M+Na]+ 379.17406 200.0
[M-H]- 355.17756 191.7
[M+NH4]+ 374.21866 198.7
[M+K]+ 395.14800 195.8
[M+H-H2O]+ 339.18210 175.1
[M+HCOO]- 401.18304 204.0
[M+CH3COO]- 415.19869 226.2
[M+Na-2H]- 377.15951 189.7
[M]+ 356.18429 187.5
[M]- 356.18539 187.5
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