CID 3050134

Pyrimidine, 2,4-diamino-5-(2-pyridylmethyl)-

Structural Information

Molecular Formula
C10H11N5
SMILES
C1=CC=NC(=C1)CC2=CN=C(N=C2N)N
InChI
InChI=1S/C10H11N5/c11-9-7(6-14-10(12)15-9)5-8-3-1-2-4-13-8/h1-4,6H,5H2,(H4,11,12,14,15)
InChIKey
FJSXYLGNGCPWOQ-UHFFFAOYSA-N
Compound name
5-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

201.10144 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.10872 144.3
[M+Na]+ 224.09066 153.1
[M-H]- 200.09416 146.6
[M+NH4]+ 219.13526 158.4
[M+K]+ 240.06460 148.4
[M+H-H2O]+ 184.09870 134.9
[M+HCOO]- 246.09964 166.9
[M+CH3COO]- 260.11529 156.1
[M+Na-2H]- 222.07611 152.2
[M]+ 201.10089 141.0
[M]- 201.10199 141.0
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

patents stripe