CID 4482355

4-nitrodibenzylamine

Structural Information

Molecular Formula
C14H14N2O2
SMILES
C1=CC=C(C=C1)CNCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H14N2O2/c17-16(18)14-8-6-13(7-9-14)11-15-10-12-4-2-1-3-5-12/h1-9,15H,10-11H2
InChIKey
KONOGIFSMBLJOH-UHFFFAOYSA-N
Compound name
N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

242.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.11281 152.9
[M+Na]+ 265.09475 158.0
[M-H]- 241.09825 159.3
[M+NH4]+ 260.13935 168.7
[M+K]+ 281.06869 150.3
[M+H-H2O]+ 225.10279 149.5
[M+HCOO]- 287.10373 179.3
[M+CH3COO]- 301.11938 189.5
[M+Na-2H]- 263.08020 161.4
[M]+ 242.10498 150.5
[M]- 242.10608 150.5
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