CID 97519

24748-89-8

Structural Information

Molecular Formula
C12H13N5
SMILES
CC1=C(C(=NC(=N1)N)C)N=NC2=CC=CC=C2
InChI
InChI=1S/C12H13N5/c1-8-11(9(2)15-12(13)14-8)17-16-10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,13,14,15)
InChIKey
ZECKVKZEJSONNS-UHFFFAOYSA-N
Compound name
4,6-dimethyl-5-phenyldiazenylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.1171 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12438 151.2
[M+Na]+ 250.10632 160.3
[M-H]- 226.10982 158.3
[M+NH4]+ 245.15092 167.2
[M+K]+ 266.08026 157.0
[M+H-H2O]+ 210.11436 141.4
[M+HCOO]- 272.11530 179.3
[M+CH3COO]- 286.13095 202.6
[M+Na-2H]- 248.09177 159.5
[M]+ 227.11655 151.6
[M]- 227.11765 151.6
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.