CID 135470392

Methyl {4-[(4-benzyl-5-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)amino]butyl}carbamate

Structural Information

Molecular Formula
C18H24N4O3
SMILES
CC1=C(N=C(NC1=O)NCCCCNC(=O)OC)CC2=CC=CC=C2
InChI
InChI=1S/C18H24N4O3/c1-13-15(12-14-8-4-3-5-9-14)21-17(22-16(13)23)19-10-6-7-11-20-18(24)25-2/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,20,24)(H2,19,21,22,23)
InChIKey
ZZGVWXQEDXZCIW-UHFFFAOYSA-N
Compound name
methyl N-[4-[(4-benzyl-5-methyl-6-oxo-1H-pyrimidin-2-yl)amino]butyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.18484 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.19212 182.8
[M+Na]+ 367.17406 188.3
[M-H]- 343.17756 185.3
[M+NH4]+ 362.21866 192.1
[M+K]+ 383.14800 183.3
[M+H-H2O]+ 327.18210 172.5
[M+HCOO]- 389.18304 203.7
[M+CH3COO]- 403.19869 214.9
[M+Na-2H]- 365.15951 186.1
[M]+ 344.18429 184.2
[M]- 344.18539 184.2
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.