CID 498410

Nsc627884

Structural Information

Molecular Formula
C20H24N5O2
SMILES
C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C20H23N5O2/c1-25-16-10-4-2-7-13(16)18(14-8-3-5-11-17(14)25)24-15(19(26)27)9-6-12-23-20(21)22/h2-5,7-8,10-11,15H,6,9,12H2,1H3,(H5,21,22,23,26,27)/p+1
InChIKey
YPSLKHUOUIMZII-UHFFFAOYSA-O
Compound name
5-(diaminomethylideneamino)-2-[(10-methylacridin-10-ium-9-yl)amino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.193 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20028 184.3
[M+Na]+ 389.18222 188.8
[M-H]- 365.18572 187.4
[M+NH4]+ 384.22682 195.1
[M+K]+ 405.15616 178.8
[M+H-H2O]+ 349.19026 177.7
[M+HCOO]- 411.19120 204.9
[M+CH3COO]- 425.20685 221.9
[M+Na-2H]- 387.16767 191.4
[M]+ 366.19245 182.3
[M]- 366.19355 182.3
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.