CID 3021167

Einecs 289-362-0

Structural Information

Molecular Formula
C19H28N4O
SMILES
C1=CC(=CC(=C1)CNCC(CNCC2=CC=CC(=C2)CN)O)CN
InChI
InChI=1S/C19H28N4O/c20-9-15-3-1-5-17(7-15)11-22-13-19(24)14-23-12-18-6-2-4-16(8-18)10-21/h1-8,19,22-24H,9-14,20-21H2
InChIKey
HVRVCYZDRAHSHG-UHFFFAOYSA-N
Compound name
1,3-bis[[3-(aminomethyl)phenyl]methylamino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

31
Patents

328.22632 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.23360 178.3
[M+Na]+ 351.21554 180.4
[M-H]- 327.21904 181.8
[M+NH4]+ 346.26014 189.6
[M+K]+ 367.18948 175.2
[M+H-H2O]+ 311.22358 169.0
[M+HCOO]- 373.22452 201.5
[M+CH3COO]- 387.24017 219.3
[M+Na-2H]- 349.20099 180.5
[M]+ 328.22577 174.1
[M]- 328.22687 174.1
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

patents stripe