CID 164186534

(4-(3,6-dimethyl-9h-carbazol-9-yl)butyl)phosphonic acid

Structural Information

Molecular Formula
C18H22NO3P
SMILES
CC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C)CCCCP(=O)(O)O
InChI
InChI=1S/C18H22NO3P/c1-13-5-7-17-15(11-13)16-12-14(2)6-8-18(16)19(17)9-3-4-10-23(20,21)22/h5-8,11-12H,3-4,9-10H2,1-2H3,(H2,20,21,22)
InChIKey
ZNLXWYZMMYDGCE-UHFFFAOYSA-N
Compound name
4-(3,6-dimethylcarbazol-9-yl)butylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

417
Patents

331.13373 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.14101 182.6
[M+Na]+ 354.12295 191.7
[M-H]- 330.12645 183.5
[M+NH4]+ 349.16755 198.8
[M+K]+ 370.09689 186.3
[M+H-H2O]+ 314.13099 173.8
[M+HCOO]- 376.13193 205.4
[M+CH3COO]- 390.14758 208.2
[M+Na-2H]- 352.10840 183.5
[M]+ 331.13318 187.5
[M]- 331.13428 187.5
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