CID 203192

Salicylic acid, 4-(2-(isopropylamino)acetamido)-, 2-diethylaminoethyl ester, dihydrochloride

Structural Information

Molecular Formula
C18H29N3O4
SMILES
CCN(CC)CCOC(=O)C1=C(C=C(C=C1)NC(=O)CNC(C)C)O
InChI
InChI=1S/C18H29N3O4/c1-5-21(6-2)9-10-25-18(24)15-8-7-14(11-16(15)22)20-17(23)12-19-13(3)4/h7-8,11,13,19,22H,5-6,9-10,12H2,1-4H3,(H,20,23)
InChIKey
ZRPVGBYVYOQVLW-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-4-[[2-(propan-2-ylamino)acetyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21582 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22310 187.7
[M+Na]+ 374.20504 189.7
[M-H]- 350.20854 190.4
[M+NH4]+ 369.24964 199.6
[M+K]+ 390.17898 189.1
[M+H-H2O]+ 334.21308 179.1
[M+HCOO]- 396.21402 209.5
[M+CH3COO]- 410.22967 224.8
[M+Na-2H]- 372.19049 185.8
[M]+ 351.21527 190.9
[M]- 351.21637 190.9
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.