CID 3010991

Schembl7346923

Structural Information

Molecular Formula
C18H13N3
SMILES
C1=CC=NC(=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)C(=N)N
InChI
InChI=1S/C18H13N3/c19-18(20)16-8-7-14-11-13(4-6-15(14)12-16)5-9-17-3-1-2-10-21-17/h1-4,6-8,10-12H,(H3,19,20)
InChIKey
NZZPEVMHRDYSPM-UHFFFAOYSA-N
Compound name
6-(2-pyridin-2-ylethynyl)naphthalene-2-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

271.11096 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11824 172.2
[M+Na]+ 294.10018 181.7
[M-H]- 270.10368 174.7
[M+NH4]+ 289.14478 184.8
[M+K]+ 310.07412 172.0
[M+H-H2O]+ 254.10822 157.3
[M+HCOO]- 316.10916 188.0
[M+CH3COO]- 330.12481 180.6
[M+Na-2H]- 292.08563 176.2
[M]+ 271.11041 162.5
[M]- 271.11151 162.5
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