CID 459831

Chembl3694826

Structural Information

Molecular Formula
C7H13N5
SMILES
C1=CN=C(N=C1NCCCN)N
InChI
InChI=1S/C7H13N5/c8-3-1-4-10-6-2-5-11-7(9)12-6/h2,5H,1,3-4,8H2,(H3,9,10,11,12)
InChIKey
OSJDAJBEHUXALX-UHFFFAOYSA-N
Compound name
4-N-(3-aminopropyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

167.1171 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.124376 134.9
[M+Na]+ 190.106318 141.7
[M-H]- 166.109824 135.0
[M+NH4]+ 185.150923 151.5
[M+K]+ 206.080258 139.0
[M+H-H2O]+ 150.114360 126.8
[M+HCOO]- 212.115301 159.4
[M+CH3COO]- 226.130951 185.4
[M+Na-2H]- 188.091766 142.7
[M]+ 167.11655142 131.3
[M]- 167.11764858 131.3
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