CID 16073786

Chembl7357

Structural Information

Molecular Formula
C18H21N5O
SMILES
CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC=CC=C3)N)N)C
InChI
InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-9-6-10-15(11-14)24-12-13-7-4-3-5-8-13/h3-11H,12H2,1-2H3,(H4,19,20,21,22)
InChIKey
NWKSIOXQSXRKQV-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-(3-phenylmethoxyphenyl)-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

0
Patents

323.17462 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18190 179.3
[M+Na]+ 346.16384 187.6
[M-H]- 322.16734 184.7
[M+NH4]+ 341.20844 190.3
[M+K]+ 362.13778 181.6
[M+H-H2O]+ 306.17188 168.1
[M+HCOO]- 368.17282 199.2
[M+CH3COO]- 382.18847 189.0
[M+Na-2H]- 344.14929 184.2
[M]+ 323.17407 177.3
[M]- 323.17517 177.3
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.