CID 49843

Dl-1-(3-diphenylamino-2-hydroxypropyl)guanidine hemisulfate

Structural Information

Molecular Formula
C16H20N4O
SMILES
C1=CC=C(C=C1)N(CC(CN=C(N)N)O)C2=CC=CC=C2
InChI
InChI=1S/C16H20N4O/c17-16(18)19-11-15(21)12-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,21H,11-12H2,(H4,17,18,19)
InChIKey
MOBSQAWJINLGBZ-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3-(N-phenylanilino)propyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1637 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.17098 169.3
[M+Na]+ 307.15292 178.0
[M+NH4]+ 302.19752 176.2
[M+K]+ 323.12686 172.4
[M-H]- 283.15642 174.9
[M+Na-2H]- 305.13837 177.0
[M]+ 284.16315 171.7
[M]- 284.16425 171.7
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.