CID 49843

2-[2-hydroxy-3-(n-phenylanilino)propyl]guanidine

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 166.5
[M+Na]+ 307.15292 168.5
[M-H]- 283.15642 172.7
[M+NH4]+ 302.19752 180.1
[M+K]+ 323.12686 166.1
[M+H-H2O]+ 267.16096 157.1
[M+HCOO]- 329.16190 191.9
[M+CH3COO]- 343.17755 212.8
[M+Na-2H]- 305.13837 169.9
[M]+ 284.16315 162.1
[M]- 284.16425 162.1
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.