CID 16073806

Chembl21051

Structural Information

Molecular Formula
C18H21N5O
SMILES
CC1(N=C(N=C(N1C2=CC=CC(=C2)C(C3=CC=CC=C3)O)N)N)C
InChI
InChI=1S/C18H21N5O/c1-18(2)22-16(19)21-17(20)23(18)14-10-6-9-13(11-14)15(24)12-7-4-3-5-8-12/h3-11,15,24H,1-2H3,(H4,19,20,21,22)
InChIKey
UFLGFZJGNWQDJQ-UHFFFAOYSA-N
Compound name
[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

323.17462 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.18190 179.6
[M+Na]+ 346.16384 187.1
[M-H]- 322.16734 183.8
[M+NH4]+ 341.20844 189.8
[M+K]+ 362.13778 181.0
[M+H-H2O]+ 306.17188 169.1
[M+HCOO]- 368.17282 197.0
[M+CH3COO]- 382.18847 188.5
[M+Na-2H]- 344.14929 183.0
[M]+ 323.17407 175.3
[M]- 323.17517 175.3
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.