CID 3072923

Urea, n-(4,6-dimethoxy-5-pyrimidinyl)-n'-((1-(1-methyl-1h-indol-3-yl)cyclopentyl)methyl)-

Structural Information

Molecular Formula
C22H27N5O3
SMILES
CN1C=C(C2=CC=CC=C21)C3(CCCC3)CNC(=O)NC4=C(N=CN=C4OC)OC
InChI
InChI=1S/C22H27N5O3/c1-27-12-16(15-8-4-5-9-17(15)27)22(10-6-7-11-22)13-23-21(28)26-18-19(29-2)24-14-25-20(18)30-3/h4-5,8-9,12,14H,6-7,10-11,13H2,1-3H3,(H2,23,26,28)
InChIKey
CRXANXZUISAGDD-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-5-yl)-3-[[1-(1-methylindol-3-yl)cyclopentyl]methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.2114 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21868 196.8
[M+Na]+ 432.20062 207.5
[M+NH4]+ 427.24522 203.6
[M+K]+ 448.17456 203.3
[M-H]- 408.20412 200.9
[M+Na-2H]- 430.18607 204.4
[M]+ 409.21085 199.3
[M]- 409.21195 199.3
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.