CID 3088529

Carbamic acid, dimethyl-, 4-(1,1-dimethylethyl)-3-(3-(dipropylamino)propoxy)phenyl ester, monohydrochloride

Structural Information

Molecular Formula
C22H38N2O3
SMILES
CCCN(CCC)CCCOC1=C(C=CC(=C1)OC(=O)N(C)C)C(C)(C)C
InChI
InChI=1S/C22H38N2O3/c1-8-13-24(14-9-2)15-10-16-26-20-17-18(27-21(25)23(6)7)11-12-19(20)22(3,4)5/h11-12,17H,8-10,13-16H2,1-7H3
InChIKey
WCMAIYPIWFGZPZ-UHFFFAOYSA-N
Compound name
[4-tert-butyl-3-[3-(dipropylamino)propoxy]phenyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.28824 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.29552 199.5
[M+Na]+ 401.27746 202.2
[M-H]- 377.28096 204.6
[M+NH4]+ 396.32206 212.7
[M+K]+ 417.25140 202.2
[M+H-H2O]+ 361.28550 191.0
[M+HCOO]- 423.28644 221.0
[M+CH3COO]- 437.30209 233.8
[M+Na-2H]- 399.26291 198.3
[M]+ 378.28769 208.2
[M]- 378.28879 208.2
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

No patent data available for this compound.