CID 215441

35699-20-8

Structural Information

Molecular Formula
C21H21NOS
SMILES
CC(CN=CC1=CC=CS1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C21H21NOS/c1-17(15-22-16-20-13-8-14-24-20)21(23,18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,16-17,23H,15H2,1H3
InChIKey
XCLNGAUCLKQYGB-UHFFFAOYSA-N
Compound name
2-methyl-1,1-diphenyl-3-(thiophen-2-ylmethylideneamino)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.1344 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14168 181.7
[M+Na]+ 358.12362 186.8
[M-H]- 334.12712 191.0
[M+NH4]+ 353.16822 196.8
[M+K]+ 374.09756 181.0
[M+H-H2O]+ 318.13166 173.6
[M+HCOO]- 380.13260 199.9
[M+CH3COO]- 394.14825 208.9
[M+Na-2H]- 356.10907 183.4
[M]+ 335.13385 182.7
[M]- 335.13495 182.7
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.