CID 18972631

10-hexylphenothiazine

Structural Information

Molecular Formula
C18H21NS
SMILES
CCCCCCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C18H21NS/c1-2-3-4-9-14-19-15-10-5-7-12-17(15)20-18-13-8-6-11-16(18)19/h5-8,10-13H,2-4,9,14H2,1H3
InChIKey
VRJVOTTZESKWPD-UHFFFAOYSA-N
Compound name
10-hexylphenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

83
Patents

283.13947 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14675 163.9
[M+Na]+ 306.12869 171.4
[M-H]- 282.13219 167.1
[M+NH4]+ 301.17329 181.3
[M+K]+ 322.10263 165.2
[M+H-H2O]+ 266.13673 156.1
[M+HCOO]- 328.13767 177.4
[M+CH3COO]- 342.15332 174.6
[M+Na-2H]- 304.11414 168.6
[M]+ 283.13892 166.6
[M]- 283.14002 166.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe