CID 116608

64365-65-7

Structural Information

Molecular Formula
C23H24Cl2N2O
SMILES
CC1=CC(=CC(=C1N)C)C(C2=CC(=C(C(=C2)C)N)C)(C3=C(C=CC=C3Cl)Cl)O
InChI
InChI=1S/C23H24Cl2N2O/c1-12-8-16(9-13(2)21(12)26)23(28,20-18(24)6-5-7-19(20)25)17-10-14(3)22(27)15(4)11-17/h5-11,28H,26-27H2,1-4H3
InChIKey
ZKGNNLGZTFBGLG-UHFFFAOYSA-N
Compound name
bis(4-amino-3,5-dimethylphenyl)-(2,6-dichlorophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

414.12656 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.13384 203.2
[M+Na]+ 437.11578 213.7
[M-H]- 413.11928 211.1
[M+NH4]+ 432.16038 214.5
[M+K]+ 453.08972 204.9
[M+H-H2O]+ 397.12382 196.3
[M+HCOO]- 459.12476 213.9
[M+CH3COO]- 473.14041 231.0
[M+Na-2H]- 435.10123 200.7
[M]+ 414.12601 205.8
[M]- 414.12711 205.8
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

patents stripe