CID 210890

21868-39-3

Structural Information

Molecular Formula
C12H18N6
SMILES
C1CN(CCN1C2=CC=CC=C2)C(=N)N=C(N)N
InChI
InChI=1S/C12H18N6/c13-11(14)16-12(15)18-8-6-17(7-9-18)10-4-2-1-3-5-10/h1-5H,6-9H2,(H5,13,14,15,16)
InChIKey
LQWASOLNMNSTSB-UHFFFAOYSA-N
Compound name
N-(diaminomethylidene)-4-phenylpiperazine-1-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

246.1593 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.16658 156.9
[M+Na]+ 269.14852 164.5
[M+NH4]+ 264.19312 163.1
[M+K]+ 285.12246 159.9
[M-H]- 245.15202 160.9
[M+Na-2H]- 267.13397 162.7
[M]+ 246.15875 158.4
[M]- 246.15985 158.4
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

No patent data available for this compound.