CID 3080147

Benzamide, 4-chloro-n-methyl-n-(4-(4-morpholinyl)-6-propyl-1,3,5-triazin-2-yl)-

Structural Information

Molecular Formula
C18H22ClN5O2
SMILES
CCCC1=NC(=NC(=N1)N(C)C(=O)C2=CC=C(C=C2)Cl)N3CCOCC3
InChI
InChI=1S/C18H22ClN5O2/c1-3-4-15-20-17(22-18(21-15)24-9-11-26-12-10-24)23(2)16(25)13-5-7-14(19)8-6-13/h5-8H,3-4,9-12H2,1-2H3
InChIKey
ORQLQFOMJDHAED-UHFFFAOYSA-N
Compound name
4-chloro-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

375.1462 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15348 188.2
[M+Na]+ 398.13542 202.6
[M+NH4]+ 393.18002 194.1
[M+K]+ 414.10936 195.8
[M-H]- 374.13892 193.7
[M+Na-2H]- 396.12087 195.8
[M]+ 375.14565 192.0
[M]- 375.14675 192.0
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.