CID 93625

3,3'-(phenylimino)bispropane-1,2-diol

Structural Information

Molecular Formula
C12H19NO4
SMILES
C1=CC=C(C=C1)N(CC(CO)O)CC(CO)O
InChI
InChI=1S/C12H19NO4/c14-8-11(16)6-13(7-12(17)9-15)10-4-2-1-3-5-10/h1-5,11-12,14-17H,6-9H2
InChIKey
ZLWISTXMEPFPSK-UHFFFAOYSA-N
Compound name
3-[N-(2,3-dihydroxypropyl)anilino]propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

241.13141 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 156.1
[M+Na]+ 264.120628 158.9
[M-H]- 240.124134 154.8
[M+NH4]+ 259.165233 170.6
[M+K]+ 280.094568 157.3
[M+H-H2O]+ 224.128670 149.5
[M+HCOO]- 286.129611 174.0
[M+CH3COO]- 300.145261 188.7
[M+Na-2H]- 262.106076 157.7
[M]+ 241.13086142 154.4
[M]- 241.13195858 154.4
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

patents stripe