CID 330421

Nsc319014

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2C(=O)NC)O
InChI
InChI=1S/C16H17NO2/c1-11-7-9-12(10-8-11)15(18)13-5-3-4-6-14(13)16(19)17-2/h3-10,15,18H,1-2H3,(H,17,19)
InChIKey
UNXDRPFMINEGME-UHFFFAOYSA-N
Compound name
2-[hydroxy-(4-methylphenyl)methyl]-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 159.1
[M+Na]+ 278.11515 165.1
[M-H]- 254.11865 164.6
[M+NH4]+ 273.15975 175.0
[M+K]+ 294.08909 161.5
[M+H-H2O]+ 238.12319 151.7
[M+HCOO]- 300.12413 181.0
[M+CH3COO]- 314.13978 197.1
[M+Na-2H]- 276.10060 162.1
[M]+ 255.12538 158.0
[M]- 255.12648 158.0
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.