CID 21653136

1-n-(pyrimidin-2-yl)benzene-1,4-diamine

Structural Information

Molecular Formula
C10H10N4
SMILES
C1=CN=C(N=C1)NC2=CC=C(C=C2)N
InChI
InChI=1S/C10H10N4/c11-8-2-4-9(5-3-8)14-10-12-6-1-7-13-10/h1-7H,11H2,(H,12,13,14)
InChIKey
UEXQBEVWFZKHNB-UHFFFAOYSA-N
Compound name
4-N-pyrimidin-2-ylbenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16189
Patents

186.09055 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09783 138.9
[M+Na]+ 209.07977 152.7
[M+NH4]+ 204.12437 147.3
[M+K]+ 225.05371 145.7
[M-H]- 185.08327 143.8
[M+Na-2H]- 207.06522 149.5
[M]+ 186.09000 142.2
[M]- 186.09110 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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