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]+ 306.13494 171.4
[M+Na]+ 328.11688 179.8
[M-H]- 304.12038 180.1
[M+NH4]+ 323.16148 182.9
[M+K]+ 344.09082 174.3
[M+H-H2O]+ 288.12492 160.1
[M+HCOO]- 350.12586 197.6
[M+CH3COO]- 364.14151 182.7
[M+Na-2H]- 326.10233 178.6
[M]+ 305.12711 171.0
[M]- 305.12821 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.