CID 4601247

2-({[4-(propan-2-yl)phenyl]amino}methyl)phenol

Structural Information

Molecular Formula
C16H19NO
SMILES
CC(C)C1=CC=C(C=C1)NCC2=CC=CC=C2O
InChI
InChI=1S/C16H19NO/c1-12(2)13-7-9-15(10-8-13)17-11-14-5-3-4-6-16(14)18/h3-10,12,17-18H,11H2,1-2H3
InChIKey
SQWIAVFACXNAKF-UHFFFAOYSA-N
Compound name
2-[(4-propan-2-ylanilino)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.14667 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.15395 156.6
[M+Na]+ 264.13589 162.6
[M-H]- 240.13939 161.9
[M+NH4]+ 259.18049 173.1
[M+K]+ 280.10983 158.3
[M+H-H2O]+ 224.14393 149.2
[M+HCOO]- 286.14487 179.0
[M+CH3COO]- 300.16052 195.5
[M+Na-2H]- 262.12134 160.8
[M]+ 241.14612 155.4
[M]- 241.14722 155.4
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.