CID 3043550

Brn 0694237

Structural Information

Molecular Formula
C14H19N5O2
SMILES
COC1=CC(=CC(=C1CN)OC)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C14H19N5O2/c1-20-11-4-8(5-12(21-2)10(11)6-15)3-9-7-18-14(17)19-13(9)16/h4-5,7H,3,6,15H2,1-2H3,(H4,16,17,18,19)
InChIKey
CTIGKFIJQOFEBW-UHFFFAOYSA-N
Compound name
5-[[4-(aminomethyl)-3,5-dimethoxyphenyl]methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

289.15387 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.16115 169.1
[M+Na]+ 312.14309 177.7
[M-H]- 288.14659 172.9
[M+NH4]+ 307.18769 181.1
[M+K]+ 328.11703 173.5
[M+H-H2O]+ 272.15113 159.6
[M+HCOO]- 334.15207 192.4
[M+CH3COO]- 348.16772 211.3
[M+Na-2H]- 310.12854 171.9
[M]+ 289.15332 169.0
[M]- 289.15442 169.0
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

patents stripe