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]+ 372.203016 192.1
[M+Na]+ 394.184958 196.6
[M-H]- 370.188464 197.4
[M+NH4]+ 389.229563 196.8
[M+K]+ 410.158898 194.2
[M+H-H2O]+ 354.193000 178.8
[M+HCOO]- 416.193941 206.5
[M+CH3COO]- 430.209591 222.4
[M+Na-2H]- 392.170406 194.0
[M]+ 371.19519142 192.8
[M]- 371.19628858 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.