CID 3069192

Brn 5634018

Structural Information

Molecular Formula
C19H22N4O2S
SMILES
CC(C)[C@@H](C(=O)NNCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N
InChI
InChI=1S/C19H22N4O2S/c1-12(2)18(20)19(25)22-21-11-17(24)23-13-7-3-5-9-15(13)26-16-10-6-4-8-14(16)23/h3-10,12,18,21H,11,20H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKey
POQOZUROISBZLK-SFHVURJKSA-N
Compound name
(2S)-2-amino-3-methyl-N'-(2-oxo-2-phenothiazin-10-ylethyl)butanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.14636 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.15364 182.3
[M+Na]+ 393.13558 185.3
[M-H]- 369.13908 184.3
[M+NH4]+ 388.18018 193.9
[M+K]+ 409.10952 181.1
[M+H-H2O]+ 353.14362 174.1
[M+HCOO]- 415.14456 194.2
[M+CH3COO]- 429.16021 224.9
[M+Na-2H]- 391.12103 184.5
[M]+ 370.14581 181.4
[M]- 370.14691 181.4
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.