CID 2756497

811842-12-3

Structural Information

Molecular Formula
C18H22N2O2
SMILES
CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC=C(C=C2)CN
InChI
InChI=1S/C18H22N2O2/c1-18(2,3)22-17(21)20-16-10-8-15(9-11-16)14-6-4-13(12-19)5-7-14/h4-11H,12,19H2,1-3H3,(H,20,21)
InChIKey
GKCVJEWXABJGFZ-UHFFFAOYSA-N
Compound name
tert-butyl N-[4-[4-(aminomethyl)phenyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.16812 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.175396 172.6
[M+Na]+ 321.157338 178.1
[M-H]- 297.160844 178.8
[M+NH4]+ 316.201943 187.1
[M+K]+ 337.131278 174.6
[M+H-H2O]+ 281.165380 164.6
[M+HCOO]- 343.166321 195.1
[M+CH3COO]- 357.181971 208.2
[M+Na-2H]- 319.142786 176.4
[M]+ 298.16757142 172.2
[M]- 298.16866858 172.2
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.