CID 673870

329921-01-9

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

COC(=O)NC1=CC=C(C=C1)CC2=CC=NC=C2

InChI

InChI=1S/C14H14N2O2/c1-18-14(17)16-13-4-2-11(3-5-13)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3,(H,16,17)

InChIKey

ZWUBZIQOXMHHOZ-UHFFFAOYSA-N

Compound name

methyl N-[4-(pyridin-4-ylmethyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 2
Patents: 242.10553 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.11281	154.2
[M+Na]+	265.09475	161.0
[M-H]-	241.09825	159.6
[M+NH4]+	260.13935	169.8
[M+K]+	281.06869	157.8
[M+H-H2O]+	225.10279	145.6
[M+HCOO]-	287.10373	178.0
[M+CH3COO]-	301.11938	193.4
[M+Na-2H]-	263.08020	160.9
[M]+	242.10498	154.8
[M]-	242.10608	154.8

Literature stripe

literature stripe

Patent stripe

patents stripe