CID 5277469

Chembl200262

Structural Information

Molecular Formula
C15H18N2O6P2
SMILES
CCN1C2=C(C=C(C=C2)NC(P(=O)(O)O)P(=O)(O)O)C3=CC=CC=C31
InChI
InChI=1S/C15H18N2O6P2/c1-2-17-13-6-4-3-5-11(13)12-9-10(7-8-14(12)17)16-15(24(18,19)20)25(21,22)23/h3-9,15-16H,2H2,1H3,(H2,18,19,20)(H2,21,22,23)
InChIKey
FOIJEVZWWJSXFM-UHFFFAOYSA-N
Compound name
[[(9-ethylcarbazol-3-yl)amino]-phosphonomethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

3
Patents

384.064 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.07128 188.3
[M+Na]+ 407.05322 193.6
[M-H]- 383.05672 185.4
[M+NH4]+ 402.09782 199.8
[M+K]+ 423.02716 191.3
[M+H-H2O]+ 367.06126 177.8
[M+HCOO]- 429.06220 212.5
[M+CH3COO]- 443.07785 213.6
[M+Na-2H]- 405.03867 189.9
[M]+ 384.06345 189.9
[M]- 384.06455 189.9
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