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 156.8
[M+Na]+ 269.14852 159.6
[M-H]- 245.15202 160.4
[M+NH4]+ 264.19312 169.7
[M+K]+ 285.12246 156.5
[M+H-H2O]+ 229.15656 146.9
[M+HCOO]- 291.15750 177.8
[M+CH3COO]- 305.17315 203.3
[M+Na-2H]- 267.13397 160.4
[M]+ 246.15875 146.7
[M]- 246.15985 146.7
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.