CID 11210285

Bml-284

Structural Information

Molecular Formula
C19H18N4O3
SMILES
COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)NCC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C19H18N4O3/c1-24-14-4-2-3-13(8-14)15-9-18(23-19(20)22-15)21-10-12-5-6-16-17(7-12)26-11-25-16/h2-9H,10-11H2,1H3,(H3,20,21,22,23)
InChIKey
FABQUVYDAXWUQP-UHFFFAOYSA-N
Compound name
4-N-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

3333
Patents

350.13788 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.14516 182.0
[M+Na]+ 373.12710 189.9
[M-H]- 349.13060 191.4
[M+NH4]+ 368.17170 191.3
[M+K]+ 389.10104 186.9
[M+H-H2O]+ 333.13514 171.6
[M+HCOO]- 395.13608 202.5
[M+CH3COO]- 409.15173 192.5
[M+Na-2H]- 371.11255 187.2
[M]+ 350.13733 184.1
[M]- 350.13843 184.1
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