CID 3069197

Brn 5653727

Structural Information

Molecular Formula
C19H21N5O3S
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CNNC(=O)[C@H](CCC(=O)N)N
InChI
InChI=1S/C19H21N5O3S/c20-12(9-10-17(21)25)19(27)23-22-11-18(26)24-13-5-1-3-7-15(13)28-16-8-4-2-6-14(16)24/h1-8,12,22H,9-11,20H2,(H2,21,25)(H,23,27)/t12-/m0/s1
InChIKey
HLOHLFJCEVJDHP-LBPRGKRZSA-N
Compound name
(4S)-4-amino-5-oxo-5-[2-(2-oxo-2-phenothiazin-10-ylethyl)hydrazinyl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1365 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14378 186.6
[M+Na]+ 422.12572 192.7
[M+NH4]+ 417.17032 191.5
[M+K]+ 438.09966 187.2
[M-H]- 398.12922 188.5
[M+Na-2H]- 420.11117 189.1
[M]+ 399.13595 187.7
[M]- 399.13705 187.7
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.