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]+ 438.18215 200.0
[M+Na]+ 460.16409 204.7
[M-H]- 436.16759 200.0
[M+NH4]+ 455.20869 207.3
[M+K]+ 476.13803 198.0
[M+H-H2O]+ 420.17213 187.1
[M+HCOO]- 482.17307 203.6
[M+CH3COO]- 496.18872 205.4
[M+Na-2H]- 458.14954 202.2
[M]+ 437.17432 195.8
[M]- 437.17542 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.