CID 116582

64346-28-7

Structural Information

Molecular Formula
C21H21ClN2O
SMILES
CC1=C(C=CC(=C1)C(C2=CC(=C(C=C2)N)C)(C3=CC=CC=C3Cl)O)N
InChI
InChI=1S/C21H21ClN2O/c1-13-11-15(7-9-19(13)23)21(25,17-5-3-4-6-18(17)22)16-8-10-20(24)14(2)12-16/h3-12,25H,23-24H2,1-2H3
InChIKey
ONGDAVRPAVGLAL-UHFFFAOYSA-N
Compound name
bis(4-amino-3-methylphenyl)-(2-chlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.13425 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.14153 188.2
[M+Na]+ 375.12347 203.9
[M+NH4]+ 370.16807 196.7
[M+K]+ 391.09741 195.1
[M-H]- 351.12697 195.8
[M+Na-2H]- 373.10892 198.2
[M]+ 352.13370 193.2
[M]- 352.13480 193.2
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.