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]+ 256.133206 159.1
[M+Na]+ 278.115148 165.1
[M-H]- 254.118654 164.6
[M+NH4]+ 273.159753 175.0
[M+K]+ 294.089088 161.5
[M+H-H2O]+ 238.123190 151.7
[M+HCOO]- 300.124131 181.0
[M+CH3COO]- 314.139781 197.1
[M+Na-2H]- 276.100596 162.1
[M]+ 255.12538142 158.0
[M]- 255.12647858 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.