CID 427459

Nsc211948

Structural Information

Molecular Formula
C18H19N5O
SMILES
CC1(N=C(N=C(N1C2=CC=C(C=C2)C(=O)C3=CC=CC=C3)N)N)C
InChI
InChI=1S/C18H19N5O/c1-18(2)22-16(19)21-17(20)23(18)14-10-8-13(9-11-14)15(24)12-6-4-3-5-7-12/h3-11H,1-2H3,(H4,19,20,21,22)
InChIKey
HLMCKSIJVYJMOC-UHFFFAOYSA-N
Compound name
[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.15897 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16625 178.7
[M+Na]+ 344.14819 186.9
[M-H]- 320.15169 184.2
[M+NH4]+ 339.19279 189.5
[M+K]+ 360.12213 181.0
[M+H-H2O]+ 304.15623 167.8
[M+HCOO]- 366.15717 197.8
[M+CH3COO]- 380.17282 188.3
[M+Na-2H]- 342.13364 182.4
[M]+ 321.15842 175.4
[M]- 321.15952 175.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.