CID 135461611

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

Structural Information

Molecular Formula
C9H17N5O
SMILES
CC(C)NC1=NC(=NC(=O)N1)NC(C)C
InChI
InChI=1S/C9H17N5O/c1-5(2)10-7-12-8(11-6(3)4)14-9(15)13-7/h5-6H,1-4H3,(H3,10,11,12,13,14,15)
InChIKey
RUOTUMSRCIMLJK-UHFFFAOYSA-N
Compound name
4,6-bis(propan-2-ylamino)-1H-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

45
Patents

211.14331 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.15059 149.6
[M+Na]+ 234.13253 156.6
[M-H]- 210.13603 148.4
[M+NH4]+ 229.17713 163.4
[M+K]+ 250.10647 154.0
[M+H-H2O]+ 194.14057 141.3
[M+HCOO]- 256.14151 169.2
[M+CH3COO]- 270.15716 192.3
[M+Na-2H]- 232.11798 154.3
[M]+ 211.14276 148.0
[M]- 211.14386 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe