CID 3067594

81746-16-9

Structural Information

Molecular Formula
C16H20N4
SMILES
C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=N)N
InChI
InChI=1S/C16H20N4/c17-16(18)20-10-8-19(9-11-20)12-14-6-3-5-13-4-1-2-7-15(13)14/h1-7H,8-12H2,(H3,17,18)
InChIKey
SIHPNJPVHRGBAY-UHFFFAOYSA-N
Compound name
4-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.1688 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.17608 163.1
[M+Na]+ 291.15802 167.5
[M-H]- 267.16152 166.4
[M+NH4]+ 286.20262 176.5
[M+K]+ 307.13196 162.0
[M+H-H2O]+ 251.16606 153.3
[M+HCOO]- 313.16700 180.3
[M+CH3COO]- 327.18265 172.3
[M+Na-2H]- 289.14347 167.9
[M]+ 268.16825 155.4
[M]- 268.16935 155.4
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.