CID 319483

Nsc263778

Structural Information

Molecular Formula
C17H15N5O
SMILES
CC1=CC=CC=C1NC2=NC(=NC(=C2N=O)N)C3=CC=CC=C3
InChI
InChI=1S/C17H15N5O/c1-11-7-5-6-10-13(11)19-17-14(22-23)15(18)20-16(21-17)12-8-3-2-4-9-12/h2-10H,1H3,(H3,18,19,20,21)
InChIKey
YMNCHGWXKSZWAR-UHFFFAOYSA-N
Compound name
4-N-(2-methylphenyl)-5-nitroso-2-phenylpyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.12766 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.134936 171.4
[M+Na]+ 328.116878 179.8
[M-H]- 304.120384 180.1
[M+NH4]+ 323.161483 182.9
[M+K]+ 344.090818 174.3
[M+H-H2O]+ 288.124920 160.1
[M+HCOO]- 350.125861 197.6
[M+CH3COO]- 364.141511 182.7
[M+Na-2H]- 326.102326 178.6
[M]+ 305.12711142 171.0
[M]- 305.12820858 171.0
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.