CID 306274

Bis(2-naphthyl) n,n'-(4-methyl-1,3-phenylene)biscarbamate

Structural Information

Molecular Formula
C29H22N2O4
SMILES
CC1=C(C=C(C=C1)NC(=O)OC2=CC3=CC=CC=C3C=C2)NC(=O)OC4=CC5=CC=CC=C5C=C4
InChI
InChI=1S/C29H22N2O4/c1-19-10-13-24(30-28(32)34-25-14-11-20-6-2-4-8-22(20)16-25)18-27(19)31-29(33)35-26-15-12-21-7-3-5-9-23(21)17-26/h2-18H,1H3,(H,30,32)(H,31,33)
InChIKey
OEEZVYKWUHWERE-UHFFFAOYSA-N
Compound name
naphthalen-2-yl N-[2-methyl-5-(naphthalen-2-yloxycarbonylamino)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

462.15796 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.16524 210.5
[M+Na]+ 485.14718 216.1
[M-H]- 461.15068 221.4
[M+NH4]+ 480.19178 218.9
[M+K]+ 501.12112 210.8
[M+H-H2O]+ 445.15522 198.3
[M+HCOO]- 507.15616 232.0
[M+CH3COO]- 521.17181 218.7
[M+Na-2H]- 483.13263 216.1
[M]+ 462.15741 213.0
[M]- 462.15851 213.0
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

patents stripe