CID 46907044

Chembl1164660

Structural Information

Molecular Formula
C19H21N5O3
SMILES
CN(C)C1=NC(=C(C(=N1)NCC2=CC=C(C=C2)OC)NC=O)C3=CC=CO3
InChI
InChI=1S/C19H21N5O3/c1-24(2)19-22-16(15-5-4-10-27-15)17(21-12-25)18(23-19)20-11-13-6-8-14(26-3)9-7-13/h4-10,12H,11H2,1-3H3,(H,21,25)(H,20,22,23)
InChIKey
KIWLKEULGKNZIC-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)-4-(furan-2-yl)-6-[(4-methoxyphenyl)methylamino]pyrimidin-5-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

367.16443 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17171 187.4
[M+Na]+ 390.15365 194.0
[M-H]- 366.15715 197.3
[M+NH4]+ 385.19825 196.9
[M+K]+ 406.12759 191.6
[M+H-H2O]+ 350.16169 176.0
[M+HCOO]- 412.16263 212.8
[M+CH3COO]- 426.17828 226.8
[M+Na-2H]- 388.13910 191.3
[M]+ 367.16388 192.2
[M]- 367.16498 192.2
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

No patent data available for this compound.