CID 221163

6,6-dimethyl-n2-phenyl-1,6-dihydro-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C11H15N5
SMILES
CC1(N=C(NC(=N1)NC2=CC=CC=C2)N)C
InChI
InChI=1S/C11H15N5/c1-11(2)15-9(12)14-10(16-11)13-8-6-4-3-5-7-8/h3-7H,1-2H3,(H4,12,13,14,15,16)
InChIKey
JPHQETJAWFRRBM-UHFFFAOYSA-N
Compound name
4,4-dimethyl-2-N-phenyl-1H-1,3,5-triazine-2,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

17
Patents

217.13275 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 150.0
[M+Na]+ 240.121968 158.0
[M-H]- 216.125474 151.5
[M+NH4]+ 235.166573 165.1
[M+K]+ 256.095908 153.3
[M+H-H2O]+ 200.130010 141.3
[M+HCOO]- 262.130951 170.1
[M+CH3COO]- 276.146601 161.0
[M+Na-2H]- 238.107416 158.0
[M]+ 217.13220142 145.1
[M]- 217.13329858 145.1
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