CID 75365892

Methyl 4-amino-3-(isopropylamino)benzoate

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)NC1=C(C=CC(=C1)C(=O)OC)N
InChI
InChI=1S/C11H16N2O2/c1-7(2)13-10-6-8(11(14)15-3)4-5-9(10)12/h4-7,13H,12H2,1-3H3
InChIKey
YDUILGMVXKCUEV-UHFFFAOYSA-N
Compound name
methyl 4-amino-3-(propan-2-ylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

208.12119 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.5
[M+Na]+ 231.11041 157.4
[M+NH4]+ 226.15501 154.5
[M+K]+ 247.08435 152.8
[M-H]- 207.11391 149.5
[M+Na-2H]- 229.09586 152.4
[M]+ 208.12064 149.2
[M]- 208.12174 149.2
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