CID 4258206

4,4'-methylenebis(isopropyl n-phenylcarbamate)

Structural Information

Molecular Formula
C21H26N2O4
SMILES
CC(C)OC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OC(C)C
InChI
InChI=1S/C21H26N2O4/c1-14(2)26-20(24)22-18-9-5-16(6-10-18)13-17-7-11-19(12-8-17)23-21(25)27-15(3)4/h5-12,14-15H,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKey
ULCFANPHZAXCFJ-UHFFFAOYSA-N
Compound name
propan-2-yl N-[4-[[4-(propan-2-yloxycarbonylamino)phenyl]methyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

370.18927 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.19655 191.4
[M+Na]+ 393.17849 194.3
[M-H]- 369.18199 197.5
[M+NH4]+ 388.22309 202.6
[M+K]+ 409.15243 192.5
[M+H-H2O]+ 353.18653 182.2
[M+HCOO]- 415.18747 212.7
[M+CH3COO]- 429.20312 223.0
[M+Na-2H]- 391.16394 190.4
[M]+ 370.18872 193.8
[M]- 370.18982 193.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe