CID 5492865

Brn 0421077

Structural Information

Molecular Formula
C12H19N5O2
SMILES
C1CCN(CC1)CCNC2=C(C=NC=C2N)[N+](=O)[O-]
InChI
InChI=1S/C12H19N5O2/c13-10-8-14-9-11(17(18)19)12(10)15-4-7-16-5-2-1-3-6-16/h8-9H,1-7,13H2,(H,14,15)
InChIKey
VXWPTZJFQWCXDV-UHFFFAOYSA-N
Compound name
5-nitro-4-N-(2-piperidin-1-ylethyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.15387 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.16115 157.3
[M+Na]+ 288.14309 160.2
[M-H]- 264.14659 160.0
[M+NH4]+ 283.18769 169.0
[M+K]+ 304.11703 152.9
[M+H-H2O]+ 248.15113 152.2
[M+HCOO]- 310.15207 178.0
[M+CH3COO]- 324.16772 195.2
[M+Na-2H]- 286.12854 163.9
[M]+ 265.15332 149.6
[M]- 265.15442 149.6
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.