CID 3305364

10-decyl-10h-phenothiazine

Structural Information

Molecular Formula
C22H29NS
SMILES
CCCCCCCCCCN1C2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C22H29NS/c1-2-3-4-5-6-7-8-13-18-23-19-14-9-11-16-21(19)24-22-17-12-10-15-20(22)23/h9-12,14-17H,2-8,13,18H2,1H3
InChIKey
UXHRXLLMSTUGMV-UHFFFAOYSA-N
Compound name
10-decylphenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

339.20206 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20934 181.6
[M+Na]+ 362.19128 187.2
[M-H]- 338.19478 183.8
[M+NH4]+ 357.23588 196.6
[M+K]+ 378.16522 180.1
[M+H-H2O]+ 322.19932 172.9
[M+HCOO]- 384.20026 193.7
[M+CH3COO]- 398.21591 190.5
[M+Na-2H]- 360.17673 184.2
[M]+ 339.20151 185.5
[M]- 339.20261 185.5
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