CID 115299

Cyanazine amide

Structural Information

Molecular Formula
C9H15ClN6O
SMILES
CCNC1=NC(=NC(=N1)Cl)NC(C)(C)C(=O)N
InChI
InChI=1S/C9H15ClN6O/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5(11)17/h4H2,1-3H3,(H2,11,17)(H2,12,13,14,15,16)
InChIKey
YUBYWFQJZICYNO-UHFFFAOYSA-N
Compound name
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

24
Patents

258.09958 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10686 159.3
[M+Na]+ 281.08880 167.0
[M-H]- 257.09230 158.9
[M+NH4]+ 276.13340 172.1
[M+K]+ 297.06274 163.2
[M+H-H2O]+ 241.09684 151.4
[M+HCOO]- 303.09778 175.5
[M+CH3COO]- 317.11343 202.5
[M+Na-2H]- 279.07425 165.2
[M]+ 258.09903 159.6
[M]- 258.10013 159.6
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