CID 5351872

Nsc72528

Structural Information

Molecular Formula
C13H19N5
SMILES
C1CNCCC1C2=CC=C(C=C2)/C=N/N=C(N)N
InChI
InChI=1S/C13H19N5/c14-13(15)18-17-9-10-1-3-11(4-2-10)12-5-7-16-8-6-12/h1-4,9,12,16H,5-8H2,(H4,14,15,18)/b17-9+
InChIKey
UYPHNUPGUBGJFI-RQZCQDPDSA-N
Compound name
2-[(E)-(4-piperidin-4-ylphenyl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.16405 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.17133 155.5
[M+Na]+ 268.15327 157.9
[M-H]- 244.15677 160.0
[M+NH4]+ 263.19787 169.8
[M+K]+ 284.12721 154.2
[M+H-H2O]+ 228.16131 146.1
[M+HCOO]- 290.16225 178.4
[M+CH3COO]- 304.17790 203.2
[M+Na-2H]- 266.13872 159.6
[M]+ 245.16350 145.8
[M]- 245.16460 145.8
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.