CID 3066620

4-pyridinamine, 2,6-dimethyl-n-(2-(4-(diphenylmethylene)-1-piperidinyl)ethyl)-3-nitro-, hydrochloride, hydrate (1:2:2)

Structural Information

Molecular Formula
C27H30N4O2
SMILES
CC1=CC(=C(C(=N1)C)[N+](=O)[O-])NCCN2CCC(=C(C3=CC=CC=C3)C4=CC=CC=C4)CC2
InChI
InChI=1S/C27H30N4O2/c1-20-19-25(27(31(32)33)21(2)29-20)28-15-18-30-16-13-24(14-17-30)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,19H,13-18H2,1-2H3,(H,28,29)
InChIKey
HLXHMZQDOARLGG-UHFFFAOYSA-N
Compound name
N-[2-(4-benzhydrylidenepiperidin-1-yl)ethyl]-2,6-dimethyl-3-nitropyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

442.23688 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.24416 210.0
[M+Na]+ 465.22610 210.4
[M-H]- 441.22960 218.0
[M+NH4]+ 460.27070 213.6
[M+K]+ 481.20004 199.0
[M+H-H2O]+ 425.23414 200.7
[M+HCOO]- 487.23508 226.1
[M+CH3COO]- 501.25073 229.4
[M+Na-2H]- 463.21155 211.4
[M]+ 442.23633 202.6
[M]- 442.23743 202.6
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

patents stripe