CID 3043549

Brn 0853571

Structural Information

Molecular Formula
C18H24N4O4
SMILES
CCCCOC(=O)C1=C(C=C(C=C1OC)CC2=CN=C(N=C2N)N)OC
InChI
InChI=1S/C18H24N4O4/c1-4-5-6-26-17(23)15-13(24-2)8-11(9-14(15)25-3)7-12-10-21-18(20)22-16(12)19/h8-10H,4-7H2,1-3H3,(H4,19,20,21,22)
InChIKey
NOWKJMQWBNFXIP-UHFFFAOYSA-N
Compound name
butyl 4-[(2,4-diaminopyrimidin-5-yl)methyl]-2,6-dimethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

360.17975 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.18703 187.7
[M+Na]+ 383.16897 198.7
[M+NH4]+ 378.21357 191.8
[M+K]+ 399.14291 193.7
[M-H]- 359.17247 189.9
[M+Na-2H]- 381.15442 192.2
[M]+ 360.17920 189.5
[M]- 360.18030 189.5
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