CID 10893715

185449-80-3

Structural Information

Molecular Formula
C22H18NO2P
SMILES
CN(C)P1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54
InChI
InChI=1S/C22H18NO2P/c1-23(2)26-24-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)25-26/h3-14H,1-2H3
InChIKey
QCHAVHXSBZARBO-UHFFFAOYSA-N
Compound name
N,N-dimethyl-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

359.1075 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.11478 187.5
[M+Na]+ 382.09672 198.0
[M-H]- 358.10022 198.3
[M+NH4]+ 377.14132 202.0
[M+K]+ 398.07066 199.2
[M+H-H2O]+ 342.10476 179.0
[M+HCOO]- 404.10570 212.9
[M+CH3COO]- 418.12135 199.4
[M+Na-2H]- 380.08217 194.5
[M]+ 359.10695 192.3
[M]- 359.10805 192.3
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