CID 3080157

127375-07-9

Structural Information

Molecular Formula
C19H25N5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)C)C
InChI
InChI=1S/C19H25N5O2/c1-4-5-16-20-18(23-19(21-16)24-8-10-26-11-9-24)22-17(25)15-7-6-13(2)14(3)12-15/h6-7,12H,4-5,8-11H2,1-3H3,(H,20,21,22,23,25)
InChIKey
HDSCXKUFPOQRRP-UHFFFAOYSA-N
Compound name
3,4-dimethyl-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

355.20084 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.20812 191.4
[M+Na]+ 378.19006 196.9
[M-H]- 354.19356 195.7
[M+NH4]+ 373.23466 196.6
[M+K]+ 394.16400 192.4
[M+H-H2O]+ 338.19810 178.6
[M+HCOO]- 400.19904 205.1
[M+CH3COO]- 414.21469 218.3
[M+Na-2H]- 376.17551 193.0
[M]+ 355.20029 190.0
[M]- 355.20139 190.0
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.