CID 46937169

Trw3-(2-amino-3-hydroxy-propyl)-6-(n'-cyclohexyl-hydrazino)octahydro-indol-7-ol

Structural Information

Molecular Formula
C17H18N4O2
SMILES
C1=CC=C(C=C1)NNC2=C(C3=C(C=C2)C(=CN3)C[C@@H](C=O)N)O
InChI
InChI=1S/C17H18N4O2/c18-12(10-22)8-11-9-19-16-14(11)6-7-15(17(16)23)21-20-13-4-2-1-3-5-13/h1-7,9-10,12,19-21,23H,8,18H2/t12-/m0/s1
InChIKey
PSUOZWHAKZSNOB-LBPRGKRZSA-N
Compound name
(2S)-2-amino-3-[7-hydroxy-6-(2-phenylhydrazinyl)-1H-indol-3-yl]propanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.14297 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.150246 167.6
[M+Na]+ 333.132188 174.2
[M-H]- 309.135694 171.7
[M+NH4]+ 328.176793 181.2
[M+K]+ 349.106128 168.2
[M+H-H2O]+ 293.140230 159.4
[M+HCOO]- 355.141171 190.8
[M+CH3COO]- 369.156821 208.9
[M+Na-2H]- 331.117636 172.6
[M]+ 310.14242142 165.5
[M]- 310.14351858 165.5
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

No patent data available for this compound.