CID 369579

Nsc641448

Structural Information

Molecular Formula
C18H14N4O
SMILES
CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C18H14N4O/c1-12-11-15(13-7-3-2-4-8-13)20-17(19-12)22-18-21-14-9-5-6-10-16(14)23-18/h2-11H,1H3,(H,19,20,21,22)
InChIKey
NLQVIHPUACLICU-UHFFFAOYSA-N
Compound name
N-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.11676 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12404 169.3
[M+Na]+ 325.10598 179.9
[M-H]- 301.10948 177.6
[M+NH4]+ 320.15058 181.1
[M+K]+ 341.07992 174.3
[M+H-H2O]+ 285.11402 158.4
[M+HCOO]- 347.11496 191.7
[M+CH3COO]- 361.13061 181.2
[M+Na-2H]- 323.09143 177.4
[M]+ 302.11621 172.0
[M]- 302.11731 172.0
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.