CID 135330076

Carbonic anhydrase from bovine erythrocytes

Structural Information

Molecular Formula
C14H18N3O2
SMILES
CC1=C(C=C(C=C1)/C(=C/O)/[N+]#N)CN2CCOCC2
InChI
InChI=1S/C14H17N3O2/c1-11-2-3-12(14(10-18)16-15)8-13(11)9-17-4-6-19-7-5-17/h2-3,8,10H,4-7,9H2,1H3/p+1/b14-10-
InChIKey
PKVFUERCCAZUII-UVTDQMKNSA-O
Compound name
(Z)-2-hydroxy-1-[4-methyl-3-(morpholin-4-ylmethyl)phenyl]ethenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1399 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14718 161.9
[M+Na]+ 283.12912 168.6
[M-H]- 259.13262 165.8
[M+NH4]+ 278.17372 173.4
[M+K]+ 299.10306 160.5
[M+H-H2O]+ 243.13716 149.2
[M+HCOO]- 305.13810 176.6
[M+CH3COO]- 319.15375 201.9
[M+Na-2H]- 281.11457 167.1
[M]+ 260.13935 153.0
[M]- 260.14045 153.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.