CID 448610

8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide

Structural Information

Molecular Formula
C15H13N5
SMILES
C1=CC2=C(C=C(C=C2)C(=N)N)C(=C1)NC3=NC=CC=N3
InChI
InChI=1S/C15H13N5/c16-14(17)11-6-5-10-3-1-4-13(12(10)9-11)20-15-18-7-2-8-19-15/h1-9H,(H3,16,17)(H,18,19,20)
InChIKey
GRQLDCHTDNYVQI-UHFFFAOYSA-N
Compound name
8-(pyrimidin-2-ylamino)naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

27
Patents

263.1171 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12438 157.5
[M+Na]+ 286.10632 164.5
[M-H]- 262.10982 162.1
[M+NH4]+ 281.15092 170.9
[M+K]+ 302.08026 158.6
[M+H-H2O]+ 246.11436 147.8
[M+HCOO]- 308.11530 180.4
[M+CH3COO]- 322.13095 168.3
[M+Na-2H]- 284.09177 166.7
[M]+ 263.11655 153.3
[M]- 263.11765 153.3
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