CID 499440

Nsc677396

Structural Information

Molecular Formula
C25H26N2OS
SMILES
CN(C)CCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H26N2OS/c1-26(2)16-8-9-17-27-21-12-6-7-13-23(21)29-24-15-14-20(18-22(24)27)25(28)19-10-4-3-5-11-19/h3-7,10-15,18H,8-9,16-17H2,1-2H3
InChIKey
KVBFRXVIVVAPQM-UHFFFAOYSA-N
Compound name
[10-[4-(dimethylamino)butyl]phenothiazin-2-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.17657 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.18385 196.4
[M+Na]+ 425.16579 201.7
[M-H]- 401.16929 203.2
[M+NH4]+ 420.21039 208.3
[M+K]+ 441.13973 195.3
[M+H-H2O]+ 385.17383 186.0
[M+HCOO]- 447.17477 209.4
[M+CH3COO]- 461.19042 204.8
[M+Na-2H]- 423.15124 198.6
[M]+ 402.17602 199.6
[M]- 402.17712 199.6
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.