CID 5744074

Di-o-tolylcarbamic acid 3-(dimethylamino)propyl ester hydrochloride

Structural Information

Molecular Formula
C20H26N2O2
SMILES
CC1=CC=CC=C1N(C2=CC=CC=C2C)C(=O)OCCCN(C)C
InChI
InChI=1S/C20H26N2O2/c1-16-10-5-7-12-18(16)22(19-13-8-6-11-17(19)2)20(23)24-15-9-14-21(3)4/h5-8,10-13H,9,14-15H2,1-4H3
InChIKey
IKVSMOCSQYMPFZ-UHFFFAOYSA-N
Compound name
3-(dimethylamino)propyl N,N-bis(2-methylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.19943 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.20671 181.7
[M+Na]+ 349.18865 186.1
[M-H]- 325.19215 190.6
[M+NH4]+ 344.23325 196.3
[M+K]+ 365.16259 184.7
[M+H-H2O]+ 309.19669 172.2
[M+HCOO]- 371.19763 206.7
[M+CH3COO]- 385.21328 221.7
[M+Na-2H]- 347.17410 183.1
[M]+ 326.19888 186.1
[M]- 326.19998 186.1
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.