CID 35884

Anidoxima

Structural Information

Molecular Formula
C21H27N3O3
SMILES
CCN(CC)CCC(=NOC(=O)NC1=CC=C(C=C1)OC)C2=CC=CC=C2
InChI
InChI=1S/C21H27N3O3/c1-4-24(5-2)16-15-20(17-9-7-6-8-10-17)23-27-21(25)22-18-11-13-19(26-3)14-12-18/h6-14H,4-5,15-16H2,1-3H3,(H,22,25)
InChIKey
XPHBRTNHVJSEQD-UHFFFAOYSA-N
Compound name
[[3-(diethylamino)-1-phenylpropylidene]amino] N-(4-methoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

493
Patents

369.20523 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.212506 191.9
[M+Na]+ 392.194448 194.0
[M-H]- 368.197954 200.0
[M+NH4]+ 387.239053 203.8
[M+K]+ 408.168388 192.6
[M+H-H2O]+ 352.202490 181.3
[M+HCOO]- 414.203431 217.8
[M+CH3COO]- 428.219081 229.2
[M+Na-2H]- 390.179896 193.9
[M]+ 369.20468142 196.0
[M]- 369.20577858 196.0
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