CID 424958

Ndr a3680

Structural Information

Molecular Formula
C22H26F3N3OS
SMILES
C1COCCN1CCNCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C22H26F3N3OS/c23-22(24,25)17-6-7-21-19(16-17)28(18-4-1-2-5-20(18)30-21)10-3-8-26-9-11-27-12-14-29-15-13-27/h1-2,4-7,16,26H,3,8-15H2
InChIKey
OTVCKNROHUFEGK-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.17487 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.182146 200.0
[M+Na]+ 460.164088 204.7
[M-H]- 436.167594 200.0
[M+NH4]+ 455.208693 207.3
[M+K]+ 476.138028 198.0
[M+H-H2O]+ 420.172130 187.1
[M+HCOO]- 482.173071 203.6
[M+CH3COO]- 496.188721 205.4
[M+Na-2H]- 458.149536 202.2
[M]+ 437.17432142 195.8
[M]- 437.17541858 195.8
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

No patent data available for this compound.