CID 10403087

108014-19-3

Structural Information

Molecular Formula
C18H19N3S
SMILES
CC(CNC)CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C#N
InChI
InChI=1S/C18H19N3S/c1-13(11-20-2)12-21-15-5-3-4-6-17(15)22-18-8-7-14(10-19)9-16(18)21/h3-9,13,20H,11-12H2,1-2H3
InChIKey
RJBGVEFRAZYALY-UHFFFAOYSA-N
Compound name
10-[2-methyl-3-(methylamino)propyl]phenothiazine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

309.12997 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.13725 175.8
[M+Na]+ 332.11919 185.6
[M-H]- 308.12269 178.4
[M+NH4]+ 327.16379 190.2
[M+K]+ 348.09313 177.5
[M+H-H2O]+ 292.12723 162.0
[M+HCOO]- 354.12817 186.1
[M+CH3COO]- 368.14382 184.4
[M+Na-2H]- 330.10464 178.8
[M]+ 309.12942 172.2
[M]- 309.13052 172.2
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