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]+ 269.176076 163.1
[M+Na]+ 291.158018 167.5
[M-H]- 267.161524 166.4
[M+NH4]+ 286.202623 176.5
[M+K]+ 307.131958 162.0
[M+H-H2O]+ 251.166060 153.3
[M+HCOO]- 313.167001 180.3
[M+CH3COO]- 327.182651 172.3
[M+Na-2H]- 289.143466 167.9
[M]+ 268.16825142 155.4
[M]- 268.16934858 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.