CID 3058225

Brn 6070014

Structural Information

Molecular Formula
C16H22N4O2
SMILES
CC(C)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C16H22N4O2/c1-9(2)14-12(21-3)6-10(7-13(14)22-4)5-11-8-19-16(18)20-15(11)17/h6-9H,5H2,1-4H3,(H4,17,18,19,20)
InChIKey
DCGBGORSWRCSGN-UHFFFAOYSA-N
Compound name
5-[(3,5-dimethoxy-4-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1743 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.18158 174.7
[M+Na]+ 325.16352 183.0
[M-H]- 301.16702 178.8
[M+NH4]+ 320.20812 186.7
[M+K]+ 341.13746 179.2
[M+H-H2O]+ 285.17156 165.3
[M+HCOO]- 347.17250 195.9
[M+CH3COO]- 361.18815 213.3
[M+Na-2H]- 323.14897 175.7
[M]+ 302.17375 176.4
[M]- 302.17485 176.4
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.