CID 3080146

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

Structural Information

Molecular Formula
C17H20ClN5O2
SMILES
CCCC1=NC(=NC(=N1)N2CCOCC2)NC(=O)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H20ClN5O2/c1-2-3-14-19-16(21-15(24)12-4-6-13(18)7-5-12)22-17(20-14)23-8-10-25-11-9-23/h4-7H,2-3,8-11H2,1H3,(H,19,20,21,22,24)
InChIKey
GFOYREQAQZBQIV-UHFFFAOYSA-N
Compound name
4-chloro-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

361.13055 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13783 186.6
[M+Na]+ 384.11977 192.6
[M-H]- 360.12327 190.5
[M+NH4]+ 379.16437 192.2
[M+K]+ 400.09371 187.4
[M+H-H2O]+ 344.12781 174.1
[M+HCOO]- 406.12875 196.3
[M+CH3COO]- 420.14440 194.3
[M+Na-2H]- 382.10522 189.6
[M]+ 361.13000 186.2
[M]- 361.13110 186.2
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.