CID 3080151

127375-03-5

Structural Information

Molecular Formula
C19H25N5O3
SMILES
CCCC1=NC(=NC(=N1)N(C)C(=O)C2=CC=C(C=C2)OC)N3CCOCC3
InChI
InChI=1S/C19H25N5O3/c1-4-5-16-20-18(22-19(21-16)24-10-12-27-13-11-24)23(2)17(25)14-6-8-15(26-3)9-7-14/h6-9H,4-5,10-13H2,1-3H3
InChIKey
FUGYVOGIMOYZDQ-UHFFFAOYSA-N
Compound name
4-methoxy-N-methyl-N-(4-morpholin-4-yl-6-propyl-1,3,5-triazin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.19574 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.20302 192.1
[M+Na]+ 394.18496 196.6
[M-H]- 370.18846 197.4
[M+NH4]+ 389.22956 196.8
[M+K]+ 410.15890 194.2
[M+H-H2O]+ 354.19300 178.8
[M+HCOO]- 416.19394 206.5
[M+CH3COO]- 430.20959 222.4
[M+Na-2H]- 392.17041 194.0
[M]+ 371.19519 192.8
[M]- 371.19629 192.8
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.