CID 3048784

Kl 3614

Structural Information

Molecular Formula
C22H38N2O3
SMILES
CCCCN(CCCC)CCOC(=O)NC1=C(C=C(C=C1)OCCCC)C
InChI
InChI=1S/C22H38N2O3/c1-5-8-13-24(14-9-6-2)15-17-27-22(25)23-21-12-11-20(18-19(21)4)26-16-10-7-3/h11-12,18H,5-10,13-17H2,1-4H3,(H,23,25)
InChIKey
DQVREVNUKLHQNN-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl N-(4-butoxy-2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.28824 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.29552 200.1
[M+Na]+ 401.27746 202.0
[M-H]- 377.28096 203.3
[M+NH4]+ 396.32206 212.3
[M+K]+ 417.25140 200.0
[M+H-H2O]+ 361.28550 190.8
[M+HCOO]- 423.28644 222.6
[M+CH3COO]- 437.30209 230.6
[M+Na-2H]- 399.26291 198.5
[M]+ 378.28769 208.0
[M]- 378.28879 208.0
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.