CID 3083948

Nirvanine

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CCN(CC)CC(=O)NC1=CC(=C(C=C1)O)C(=O)OC
InChI
InChI=1S/C14H20N2O4/c1-4-16(5-2)9-13(18)15-10-6-7-12(17)11(8-10)14(19)20-3/h6-8,17H,4-5,9H2,1-3H3,(H,15,18)
InChIKey
CGNCROPFTZJYCW-UHFFFAOYSA-N
Compound name
methyl 5-[[2-(diethylamino)acetyl]amino]-2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.1423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.149576 165.3
[M+Na]+ 303.131518 170.3
[M-H]- 279.135024 168.8
[M+NH4]+ 298.176123 180.7
[M+K]+ 319.105458 169.8
[M+H-H2O]+ 263.139560 157.9
[M+HCOO]- 325.140501 188.5
[M+CH3COO]- 339.156151 206.6
[M+Na-2H]- 301.116966 166.4
[M]+ 280.14175142 168.5
[M]- 280.14284858 168.5
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