CID 134619

7331-21-7

Structural Information

Molecular Formula
C12H13N5O2
SMILES
CC1=C(C(=NC(=N1)N)N)CC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C12H13N5O2/c1-7-10(11(13)16-12(14)15-7)6-8-2-4-9(5-3-8)17(18)19/h2-5H,6H2,1H3,(H4,13,14,15,16)
InChIKey
SLGQNHYYIRHGIG-UHFFFAOYSA-N
Compound name
6-methyl-5-[(4-nitrophenyl)methyl]pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

259.10693 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.11421 155.5
[M+Na]+ 282.09615 169.1
[M+NH4]+ 277.14075 162.2
[M+K]+ 298.07009 166.1
[M-H]- 258.09965 160.7
[M+Na-2H]- 280.08160 163.1
[M]+ 259.10638 158.6
[M]- 259.10748 158.6
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

patents stripe