CID 14174124

1235440-71-7

Structural Information

Molecular Formula
C11H18N4O
SMILES
C1COCCN1CCNC2=C(C=NC=C2)N
InChI
InChI=1S/C11H18N4O/c12-10-9-13-2-1-11(10)14-3-4-15-5-7-16-8-6-15/h1-2,9H,3-8,12H2,(H,13,14)
InChIKey
MJRBSCNJGKZPSX-UHFFFAOYSA-N
Compound name
4-N-(2-morpholin-4-ylethyl)pyridine-3,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.14806 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 151.3
[M+Na]+ 245.13728 155.4
[M-H]- 221.14078 154.3
[M+NH4]+ 240.18188 164.1
[M+K]+ 261.11122 153.3
[M+H-H2O]+ 205.14532 141.6
[M+HCOO]- 267.14626 170.4
[M+CH3COO]- 281.16191 191.8
[M+Na-2H]- 243.12273 157.8
[M]+ 222.14751 146.0
[M]- 222.14861 146.0
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.