CID 16073811

Chembl267692

Structural Information

Molecular Formula
C15H23N5
SMILES
CC1(N=C(N=C(N1C2=CC=CC(=C2)C(C)(C)C)N)N)C
InChI
InChI=1S/C15H23N5/c1-14(2,3)10-7-6-8-11(9-10)20-13(17)18-12(16)19-15(20,4)5/h6-9H,1-5H3,(H4,16,17,18,19)
InChIKey
HRDHEUBWDVJRHA-UHFFFAOYSA-N
Compound name
1-(3-tert-butylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

273.19534 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.20262 169.5
[M+Na]+ 296.18456 178.5
[M-H]- 272.18806 172.3
[M+NH4]+ 291.22916 183.6
[M+K]+ 312.15850 174.0
[M+H-H2O]+ 256.19260 161.1
[M+HCOO]- 318.19354 187.4
[M+CH3COO]- 332.20919 206.2
[M+Na-2H]- 294.17001 174.1
[M]+ 273.19479 167.1
[M]- 273.19589 167.1
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

No patent data available for this compound.