CID 309754

17005-34-4

Structural Information

Molecular Formula
C15H18N4O
SMILES
C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=O
InChI
InChI=1S/C15H18N4O/c16-14-12(13(10-20)18-15(17)19-14)9-5-4-8-11-6-2-1-3-7-11/h1-3,6-7,10H,4-5,8-9H2,(H4,16,17,18,19)
InChIKey
ZYSUCKDURHLPJA-UHFFFAOYSA-N
Compound name
2,6-diamino-5-(4-phenylbutyl)pyrimidine-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.14807 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.15535 164.5
[M+Na]+ 293.13729 172.0
[M-H]- 269.14079 167.7
[M+NH4]+ 288.18189 177.2
[M+K]+ 309.11123 166.5
[M+H-H2O]+ 253.14533 154.9
[M+HCOO]- 315.14627 187.1
[M+CH3COO]- 329.16192 203.8
[M+Na-2H]- 291.12274 168.8
[M]+ 270.14752 163.4
[M]- 270.14862 163.4
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

No patent data available for this compound.