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]+ 353.141526 186.5
[M+Na]+ 375.123468 195.0
[M-H]- 351.126974 194.6
[M+NH4]+ 370.168073 199.0
[M+K]+ 391.097408 187.2
[M+H-H2O]+ 335.131510 178.8
[M+HCOO]- 397.132451 203.1
[M+CH3COO]- 411.148101 217.5
[M+Na-2H]- 373.108916 188.2
[M]+ 352.13370142 185.7
[M]- 352.13479858 185.7
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.