CID 77397

Ndr 3680a

Structural Information

Molecular Formula
C22H26F3N3OS
SMILES
CCN(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F)N4CCOCC4
InChI
InChI=1S/C22H26F3N3OS/c1-2-26(27-12-14-29-15-13-27)10-5-11-28-18-6-3-4-7-20(18)30-21-9-8-17(16-19(21)28)22(23,24)25/h3-4,6-9,16H,2,5,10-15H2,1H3
InChIKey
QNVKMPWVCOPGGP-UHFFFAOYSA-N
Compound name
N-ethyl-N-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]morpholin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.17487 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.18215 201.4
[M+Na]+ 460.16409 206.0
[M-H]- 436.16759 202.8
[M+NH4]+ 455.20869 209.2
[M+K]+ 476.13803 200.7
[M+H-H2O]+ 420.17213 188.1
[M+HCOO]- 482.17307 205.3
[M+CH3COO]- 496.18872 207.2
[M+Na-2H]- 458.14954 202.7
[M]+ 437.17432 198.2
[M]- 437.17542 198.2
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.