CID 363147

Nsc627731

Structural Information

Molecular Formula
C19H21N5O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CCCN=C(N)N)C(=O)O
InChI
InChI=1S/C19H21N5O2/c20-19(21)22-11-5-10-16(18(25)26)24-17-12-6-1-3-8-14(12)23-15-9-4-2-7-13(15)17/h1-4,6-9,16H,5,10-11H2,(H,23,24)(H,25,26)(H4,20,21,22)
InChIKey
ZGDSAZAHLPCXAT-UHFFFAOYSA-N
Compound name
2-(acridin-9-ylamino)-5-(diaminomethylideneamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16953 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 178.8
[M+Na]+ 374.15875 183.3
[M-H]- 350.16225 181.5
[M+NH4]+ 369.20335 190.3
[M+K]+ 390.13269 179.0
[M+H-H2O]+ 334.16679 169.6
[M+HCOO]- 396.16773 200.2
[M+CH3COO]- 410.18338 225.5
[M+Na-2H]- 372.14420 184.8
[M]+ 351.16898 177.4
[M]- 351.17008 177.4
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.