CID 103241

65122-41-0

Structural Information

Molecular Formula
C21H21ClN2O
SMILES
CC1=C(C=CC(=C1)N)C(C2=C(C=C(C=C2)N)C)(C3=CC=CC=C3Cl)O
InChI
InChI=1S/C21H21ClN2O/c1-13-11-15(23)7-9-17(13)21(25,19-5-3-4-6-20(19)22)18-10-8-16(24)12-14(18)2/h3-12,25H,23-24H2,1-2H3
InChIKey
PBRNBXVTBUODFJ-UHFFFAOYSA-N
Compound name
bis(4-amino-2-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 186.5
[M+Na]+ 375.12347 195.0
[M-H]- 351.12697 194.6
[M+NH4]+ 370.16807 199.0
[M+K]+ 391.09741 187.2
[M+H-H2O]+ 335.13151 178.8
[M+HCOO]- 397.13245 203.1
[M+CH3COO]- 411.14810 217.5
[M+Na-2H]- 373.10892 188.2
[M]+ 352.13370 185.7
[M]- 352.13480 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.