CID 135504734

4,6-bis(butylamino)-1,3,5-triazin-2(1h)-one

Structural Information

Molecular Formula
C11H21N5O
SMILES
CCCCNC1=NC(=NC(=O)N1)NCCCC
InChI
InChI=1S/C11H21N5O/c1-3-5-7-12-9-14-10(13-8-6-4-2)16-11(17)15-9/h3-8H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKey
XMSJMFAAHVGNCX-UHFFFAOYSA-N
Compound name
4,6-bis(butylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1746 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.18188 156.3
[M+Na]+ 262.16382 166.2
[M+NH4]+ 257.20842 161.3
[M+K]+ 278.13776 160.4
[M-H]- 238.16732 156.2
[M+Na-2H]- 260.14927 160.7
[M]+ 239.17405 157.2
[M]- 239.17515 157.2
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

patents stripe