CID 16206215

100735-03-3

Structural Information

Molecular Formula
C18H21N3O2S
SMILES
CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)[N+](=O)[O-])CN(C)C
InChI
InChI=1S/C18H21N3O2S/c1-13(11-19(2)3)12-20-15-6-4-5-7-17(15)24-18-9-8-14(21(22)23)10-16(18)20/h4-10,13H,11-12H2,1-3H3
InChIKey
FUEGRBTUQUEBKY-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-3-(2-nitrophenothiazin-10-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.13544 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.142716 175.5
[M+Na]+ 366.124658 180.0
[M-H]- 342.128164 179.8
[M+NH4]+ 361.169263 189.3
[M+K]+ 382.098598 172.2
[M+H-H2O]+ 326.132700 171.4
[M+HCOO]- 388.133641 190.0
[M+CH3COO]- 402.149291 214.0
[M+Na-2H]- 364.110106 180.5
[M]+ 343.13489142 176.7
[M]- 343.13598858 176.7
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.