CID 516692

5-(anilinomethyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C11H13N5
SMILES
C1=CC=C(C=C1)NCC2=CN=C(N=C2N)N
InChI
InChI=1S/C11H13N5/c12-10-8(7-15-11(13)16-10)6-14-9-4-2-1-3-5-9/h1-5,7,14H,6H2,(H4,12,13,15,16)
InChIKey
CCQQSWGQEBMHHL-UHFFFAOYSA-N
Compound name
5-(anilinomethyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.1171 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.12438 146.5
[M+Na]+ 238.10632 154.0
[M-H]- 214.10982 150.1
[M+NH4]+ 233.15092 161.0
[M+K]+ 254.08026 149.4
[M+H-H2O]+ 198.11436 137.4
[M+HCOO]- 260.11530 171.2
[M+CH3COO]- 274.13095 158.2
[M+Na-2H]- 236.09177 154.4
[M]+ 215.11655 142.4
[M]- 215.11765 142.4
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

No patent data available for this compound.