CID 6328334

1620 cb

Structural Information

Molecular Formula
C21H27N3OS
SMILES
CCC/C(=N\O)/C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C
InChI
InChI=1S/C21H27N3OS/c1-4-8-17(22-25)16-11-12-21-19(15-16)24(14-7-13-23(2)3)18-9-5-6-10-20(18)26-21/h5-6,9-12,15,25H,4,7-8,13-14H2,1-3H3/b22-17+
InChIKey
LJQOPVGXOWYIDT-OQKWZONESA-N
Compound name
(NE)-N-[1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]butylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.18747 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.19475 187.2
[M+Na]+ 392.17669 192.1
[M-H]- 368.18019 191.1
[M+NH4]+ 387.22129 200.8
[M+K]+ 408.15063 187.1
[M+H-H2O]+ 352.18473 178.2
[M+HCOO]- 414.18567 201.1
[M+CH3COO]- 428.20132 226.9
[M+Na-2H]- 390.16214 189.7
[M]+ 369.18692 191.1
[M]- 369.18802 191.1
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.